Geometry & MOs

Info

ID:	368450
PubChem CID:	127328717
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	6.47
IP(EA), eV:	-9.22(0.75)
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-naphthalen-2-ylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)N2CCCC(C2)CN3C(=NC(=N3)C)C

DOS

IR

Vibrations