Geometry & MOs

Info

ID:	252166
PubChem CID:	103109553
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	316.130218
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	6.15
IP(EA), eV:	-10.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CC(=O)C

DOS

IR

Vibrations