Geometry & MOs

Info

ID:	419517
PubChem CID:	135108337
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	5.3
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3OC=C2)C(=O)C4CCOC4

DOS

IR

Vibrations