Geometry & MOs

Info

ID:	404310
PubChem CID:	135065784
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	398.160598
ΔH_f, kcal/mol:	46.17
Dipole, Da:	4.83
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-(2-methylidenepent-4-enyl)-5-phenyl-3-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3)CC(=C)C

DOS

IR

Vibrations