Geometry & MOs

Info

ID:	350898
PubChem CID:	127279186
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	6.46
IP(EA), eV:	-8.96(-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]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations