Geometry & MOs

Info

ID:	368451
PubChem CID:	127328727
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	14.2
Dipole, Da:	3.19
IP(EA), eV:	-8.83(-0.41)
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-1-ylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC(C)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations