Geometry & MOs

Info

ID:	189389
PubChem CID:	77849188
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	10.94
Dipole, Da:	6.03
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CN(C2CS(=O)(=O)CC2N1CC=CC3=CC=CC=C3)C4=NC=CC=N4

DOS

IR

Vibrations