Geometry & MOs

Info

ID:	151559
PubChem CID:	53837792
Reduced:	OC17H22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	3.4
IP(EA), eV:	-9.45(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-1,2,3,4,4a,12a-hexahydrobenzimidazolo[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)CCC(C2C3=CC=CC=C3)C=O

DOS

IR

Vibrations