Geometry & MOs

Info

ID:	244425
PubChem CID:	99350803
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	6.43
IP(EA), eV:	-7.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC)OC

DOS

IR

Vibrations