Geometry & MOs

Info

ID:	248201
PubChem CID:	103079647
Reduced:	O2F3N4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	6.87
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations