Geometry & MOs

Info

ID:	191623
PubChem CID:	78169116
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-124.06
Dipole, Da:	5.64
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-pyridin-2-yl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-4-one

Drug info:

PubChemData

Smile

C[NH+]1CCC2CCCC(C2C1)OC(=O)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations