Geometry & MOs

Info

ID:	350905
PubChem CID:	127279193
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	4.97
IP(EA), eV:	-8.88(-0.15)
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-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C(=O)CN1CCCC1C2=CC3=C(C=C2)OCO3)C4(CCCCC4)C#N

DOS

IR

Vibrations