Geometry & MOs

Info

ID:	50613
PubChem CID:	12013170
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	462.236601
ΔH_f, kcal/mol:	-202.49
Dipole, Da:	7.48
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-2-[[1-(diethylamino)-3,3-diethoxy-2-(4-methoxyphenyl)prop-2-enylidene]amino]but-2-enedioate

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=C(C(=C1C2=CC=C(C=C2)OC)OCC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations