Geometry & MOs

Info

ID:	397067
PubChem CID:	135029674
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	458.235814
ΔH_f, kcal/mol:	62.48
Dipole, Da:	1.01
IP(EA), eV:	-8.3(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dibenzyl-5-phenyl-5a,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations