Geometry & MOs

Info

ID:	405669
PubChem CID:	135074884
Reduced:	O8C21H28 (1)
Stoich.:	A8B21C28 (1)
Weight, g/mol:	392.183503
ΔH_f, kcal/mol:	-322.03
Dipole, Da:	2.61
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(Z)-4-methoxycarbonyloxybut-2-enyl]-2-[(4-methylphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C\COC(=O)OC)(CC1=CC=C(C=C1)OC)C(=O)OCC

DOS

IR

Vibrations