Geometry & MOs

Info

ID:	252888
PubChem CID:	103114793
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	3.13
IP(EA), eV:	-10.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-amino-1-oxopropan-2-yl)-5-[(3-methylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=C(C=NC=C2)F

DOS

IR

Vibrations