Geometry & MOs

Info

ID:	127355
PubChem CID:	50999625
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	271.056861
ΔH_f, kcal/mol:	36.65
Dipole, Da:	7.64
IP(EA), eV:	-9.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

DOS

IR

Vibrations