Geometry & MOs

Info

ID:	294722
PubChem CID:	117485973
Reduced:	BrFNO3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	300.98622
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	3.21
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)C2(CC2)N=C=O)F)Br

DOS

IR

Vibrations