Geometry & MOs

Info

ID:	293272
PubChem CID:	117380683
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	4.63
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(5-amino-1,2-dihydropyrazol-3-ylidene)-4-fluoro-2-methoxy-3,5-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COCC1=CC(=C(C(=C1)F)OC)C2=C(NN=C2)N

DOS

IR

Vibrations