Geometry & MOs

Info

ID:	139168
PubChem CID:	52484647
Reduced:	FOSC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	3.15
IP(EA), eV:	-8.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-methylanilino)acetyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CSCC2=CC=CC=C2

DOS

IR

Vibrations