Geometry & MOs

Info

ID:	345241
PubChem CID:	127269305
Reduced:	SO3N5C16H29 (1)
Stoich.:	AB3C5D16E29 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	9.87
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)NC2CCN(CC2)CC(C)C

DOS

IR

Vibrations