Geometry & MOs

Info

ID:	338692
PubChem CID:	127259703
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	251.021002
ΔH_f, kcal/mol:	48.63
Dipole, Da:	1.67
IP(EA), eV:	-8.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitro-N-[(E)-triazol-4-ylidenemethyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC=C(O2)C3=CC=CC=C3N

DOS

IR

Vibrations