Geometry & MOs

Info

ID:	420619
PubChem CID:	135114378
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	9.33
IP(EA), eV:	-8.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)CC2=CC(=O)C(=CN2)OC

DOS

IR

Vibrations