Geometry & MOs

Info

ID:	40554
PubChem CID:	8144320
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	3.92
IP(EA), eV:	-8.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations