Geometry & MOs

Info

ID:	28860
PubChem CID:	830088
Reduced:	ClNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	271.082013
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	8.73
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-amino-6,6,6-trifluoro-1-(4-methoxyphenyl)hexa-1,4-dien-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2

DOS

IR

Vibrations