Geometry & MOs

Info

ID:	350598
PubChem CID:	127278633
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	6.25
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1NC2=CC=CC=C2)C(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations