Geometry & MOs

Info

ID:	208112
PubChem CID:	80496356
Reduced:	OSN4H6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	56.21
Dipole, Da:	1.23
IP(EA), eV:	-9.63(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-N-propyl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(S1)C2=NNN=C2

DOS

IR

Vibrations