Geometry & MOs

Info

ID:	193201
PubChem CID:	78356082
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	268.118733
ΔH_f, kcal/mol:	2.67
Dipole, Da:	8.14
IP(EA), eV:	-8.12(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzylidene-3-(trifluoromethyl)-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrazole

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NN=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations