Geometry & MOs

Info

ID:	83944
PubChem CID:	49862738
Reduced:	ClF2O2N3C31H36 (1)
Stoich.:	AB2C2D3E31F36 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-157.26
Dipole, Da:	1.84
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-chlorophenyl)-2-[(2E)-2-hydroxyimino-2-phenylethyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C3(CCN(CC3)C(=O)[C@@H]4CN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)C)O[C@@H]2C(C)(C)C#N

DOS

IR

Vibrations