Geometry & MOs

Info

ID:	356892
PubChem CID:	127292496
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	6.32
IP(EA), eV:	-8.92(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-prop-2-enylpiperidin-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C=CCN1CCC(CC1)NC(=O)N2CCC(CC2)C(=O)N3CCCC3

DOS

IR

Vibrations