Geometry & MOs

Info

ID:	408456
PubChem CID:	135081222
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	226.039672
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	3.92
IP(EA), eV:	-8.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-methoxy-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](/C=C(\C)/C1=CC=C(C=C1)OC)O

DOS

IR

Vibrations