Geometry & MOs

Info

ID:	405668
PubChem CID:	135074883
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	408.178418
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	2.22
IP(EA), eV:	-8.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=C3C(=CC=C2)NC=C3CC=C

DOS

IR

Vibrations