Geometry & MOs

Info

ID:	405629
PubChem CID:	135074735
Reduced:	NO8C21H25 (1)
Stoich.:	AB8C21D25 (1)
Weight, g/mol:	438.188983
ΔH_f, kcal/mol:	-286.31
Dipole, Da:	3.23
IP(EA), eV:	-7.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2CC(C/C=C/COC(=O)OC)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations