Geometry & MOs

Info

ID:	356663
PubChem CID:	127292144
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	7.27
IP(EA), eV:	-9.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations