Geometry & MOs

Info

ID:	327559
PubChem CID:	126690337
Reduced:	BrCl2O3N6C27H43 (1)
Stoich.:	AB2C3D6E27F43 (1)
Weight, g/mol:	250.100523
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	6.2
IP(EA), eV:	-8.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-fluorophenyl)-3-methyl-2-prop-1-en-2-yloxybut-2-enoic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCCNC(=NC)/C=C(/C(=C)C(=O)N/C(=C(/C(=C(\COC)/Br)/OC)\Cl)/C(C)Cl)\N=C

DOS

IR

Vibrations