Geometry & MOs

Info

ID:	414201
PubChem CID:	135087157
Reduced:	PCl2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	306.027056
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	4.55
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-chloro-3-oxo-5-[4-(trifluoromethyl)phenyl]pent-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations