Geometry & MOs

Info

ID:	275306
PubChem CID:	103815057
Reduced:	ON6C12H22 (1)
Stoich.:	AB6C12D22 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	4.83
IP(EA), eV:	-9.11(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C(C)(C)N2CCNCC2

DOS

IR

Vibrations