Geometry & MOs

Info

ID:	397384
PubChem CID:	135030137
Reduced:	O9C22H28 (1)
Stoich.:	A9B22C28 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	-348.72
Dipole, Da:	3.64
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dibenzyl-2,3,6,7,8,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCOC1=C(C(=CC=C1)OCOC)C2=C(C=CC(=C2C[C@@H](CC(=O)O)O)OC)OC

DOS

IR

Vibrations