Geometry & MOs

Info

ID:	201317
PubChem CID:	79524293
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	348.01974
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	2.87
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CNC(=O)C2=CC=CC=C2O)N

DOS

IR

Vibrations