Geometry & MOs

Info

ID:	150067
PubChem CID:	53789752
Reduced:	FNOC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	336.072864
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	2.62
IP(EA), eV:	-8.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-3-[4-(2,4-difluorophenyl)phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(C=CC(=C2)CCC(C)(C)OC)F

DOS

IR

Vibrations