Geometry & MOs

Info

ID:	203794
PubChem CID:	79872449
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	272.05211
ΔH_f, kcal/mol:	45.34
Dipole, Da:	2.44
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2C(=NC(=N2)OC)N

DOS

IR

Vibrations