Geometry & MOs

Info

ID:

426287

PubChem CID:

135143182

Reduced:

N3C13H13 (1)

Stoich.:

A3B13C13 (1)

Weight, g/mol:

736.356597

ΔHf, kcal/mol:

80.74

Dipole, Da:

5.65

IP(EA), eV:

 -8.07(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-[3-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,12,15,17-hexaene

Drug info:

PubChemData

Smile

C/C=C\C1=C(NC2=NC3=CC=CC=C3N12)C

DOS

IR

Vibrations