Geometry & MOs

Info

ID:	65201
PubChem CID:	29204604
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	386.094582
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	7.33
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NON=C2NC(=O)[C@H](C)OC3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations