Geometry & MOs

Info

ID:	352907
PubChem CID:	127283997
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	39.43
Dipole, Da:	2.53
IP(EA), eV:	-9.13(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCCC(C2)N3C=NC=N3)C

DOS

IR

Vibrations