Geometry & MOs

Info

ID:	342397
PubChem CID:	127265220
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-58.36
Dipole, Da:	5.0
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methoxyphenyl)-1-[2-(6-methylpyridin-2-yl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C1=CC=NC=C1)N(C)C(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations