Geometry & MOs

Info

ID:

189692

PubChem CID:

77889866

Reduced:

ON5C31H31 (1)

Stoich.:

AB5C31D31 (1)

Weight, g/mol:

528.288912

ΔHf, kcal/mol:

48.51

Dipole, Da:

1.05

IP(EA), eV:

 -8.19(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4CCCCC4N(C3=N2)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=C6N=CC=C8

DOS

IR

Vibrations