Geometry & MOs

Info

ID:	207353
PubChem CID:	80386479
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	294.068367
ΔH_f, kcal/mol:	18.98
Dipole, Da:	8.1
IP(EA), eV:	-10.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations