Geometry & MOs

Info

ID:	40628
PubChem CID:	8144443
Reduced:	N3O3C14H26 (1)
Stoich.:	A3B3C14D26 (1)
Weight, g/mol:	334.128155
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	3.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756586
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(2-fluorophenyl)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCOCC2)C

DOS

IR

Vibrations