Geometry & MOs

Info

ID:	393238
PubChem CID:	135019827
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	400.184566
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	1.48
IP(EA), eV:	-9.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]ethylamino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations