Geometry & MOs

Info

ID:	207295
PubChem CID:	80373894
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	57.72
Dipole, Da:	5.43
IP(EA), eV:	-9.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NNN=N1)C2=CC=CC=C2

DOS

IR

Vibrations