Geometry & MOs

Info

ID:	146362
PubChem CID:	53676438
Reduced:	OC20H30 (1)
Stoich.:	AB20C30 (1)
Weight, g/mol:	486.051122
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	6.12
IP(EA), eV:	-9.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(=CC=CC(=CC=O)C)C

DOS

IR

Vibrations