Geometry & MOs

Info

ID:

441411

PubChem CID:

135234565

Reduced:

NH29C36 (1)

Stoich.:

AB29C36 (1)

Weight, g/mol:

634.077032

ΔHf, kcal/mol:

151.01

Dipole, Da:

1.58

IP(EA), eV:

 -8.08(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,10-dichloro-17-(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(C2=C1C=CC3=C2C4=C(C5=CC=CC=C35)C6=CC=CC=C6N4C7=CC=CC=C7)(C)C)C=C

DOS

IR

Vibrations