Geometry & MOs

Info

ID:	403124
PubChem CID:	135058827
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	1.46
IP(EA), eV:	-9.34(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](COCCOC)C(=O)OC

DOS

IR

Vibrations