Geometry & MOs

Info

ID:	40547
PubChem CID:	8144311
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	383.233468
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	2.92
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

DOS

IR

Vibrations