Geometry & MOs

Info

ID:	391545
PubChem CID:	135006427
Reduced:	O2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	262.070205
ΔH_f, kcal/mol:	100.28
Dipole, Da:	9.34
IP(EA), eV:	-9.71(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-nitrophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=NN2C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations