Geometry & MOs

Info

ID:	350908
PubChem CID:	127279196
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-158.1
Dipole, Da:	3.09
IP(EA), eV:	-8.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations