Geometry & MOs

Info

ID:	189691
PubChem CID:	77889865
Reduced:	ON4C37H38 (1)
Stoich.:	AB4C37D38 (1)
Weight, g/mol:	489.252861
ΔH_f, kcal/mol:	51.14
Dipole, Da:	2.41
IP(EA), eV:	-7.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-pyrido[2,3-b]indol-9-ylphenyl)-1,2,3,4,4a,6a,7,8,9,10,10a,12a-dodecahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)N3C4CCCCC4N5C3=NC6CCCCC6C5=O)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations