Geometry & MOs

Info

ID:	144792
PubChem CID:	53414149
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	271.056861
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	1.83
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

C1CC1CC(=O)NC2=CC=C(C=C2)CCC(=O)N3C(COC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations