Geometry & MOs

Info

ID:	248067
PubChem CID:	103078653
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	270.109231
ΔH_f, kcal/mol:	0.33
Dipole, Da:	4.03
IP(EA), eV:	-7.89(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2CC(C2)O)N

DOS

IR

Vibrations