Geometry & MOs

Info

ID:	26841
PubChem CID:	799465
Reduced:	ClNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	333.01645
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	3.86
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-bromophenyl)-3-(3-fluoroanilino)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C(\C)/NC2=C(C=CC(=C2)C)Cl

DOS

IR

Vibrations