Geometry & MOs

Info

ID:	167564
PubChem CID:	74845627
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	8.73
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloroacetyl)-2-(3-methylphenyl)-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)N2CCC3C(C2)C(=O)NC(N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations