Geometry & MOs

Info

ID:	224355
PubChem CID:	85342072
Reduced:	F2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-233.86
Dipole, Da:	6.44
IP(EA), eV:	-8.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-ylmethylamino)-2-phenyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

Drug info:

PubChemData

Smile

C1CC2COC3=C(N2C1)C=CC(=C3)N4CC(OC4=O)CNC(=O)C(F)F

DOS

IR

Vibrations