Geometry & MOs

Info

ID:	368459
PubChem CID:	127328744
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	398.21001
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	3.76
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC(C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations