Geometry & MOs

Info

ID:	293273
PubChem CID:	117380739
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-63.5
Dipole, Da:	8.84
IP(EA), eV:	-7.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-3-fluoro-2-methoxy-5-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC\1=C(C(=C(C(=O)/C1=C\2/C=C(NN2)N)OC)C)F

DOS

IR

Vibrations