Geometry & MOs

Info

ID:	248200
PubChem CID:	103079645
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	300.08341
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	5.98
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(COC)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations