Geometry & MOs

Info

ID:	350895
PubChem CID:	127279183
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	3.55
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2CCOC3=CC=CC=C23)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations