Geometry & MOs

Info

ID:	305603
PubChem CID:	124961938
Reduced:	FON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	194.54
Dipole, Da:	6.79
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3S,4R)-4-[2-(4-methoxyphenyl)ethylcarbamoyl]-1-methylpyrrolidin-3-yl]phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2[C@H]3CC[C@H]2C4=C(C3)NN=C4NC5=CC(=CC=C5)F

DOS

IR

Vibrations