Geometry & MOs

Info

ID:	405494
PubChem CID:	135074169
Reduced:	O3H18C22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	380.183503
ΔH_f, kcal/mol:	17.04
Dipole, Da:	3.13
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(3,5-dimethoxyphenyl)methyl]-2-[(Z)-4-hydroxybut-2-enyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=CC=CC=C1C#CC2CC2)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations