Geometry & MOs

Info

ID:	405640
PubChem CID:	135074750
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-203.51
Dipole, Da:	1.95
IP(EA), eV:	-9.44(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations