Geometry & MOs

Info

ID:	197650
PubChem CID:	78984068
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	13.56
Dipole, Da:	3.46
IP(EA), eV:	-8.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N)C(=O)C2=CC=CC=C2SC

DOS

IR

Vibrations