Geometry & MOs

Info

ID:	405049
PubChem CID:	135072295
Reduced:	BON6C36H47 (1)
Stoich.:	ABC6D36E47 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	162.15
Dipole, Da:	5.45
IP(EA), eV:	-7.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

[B-]12(N3C4=C(C(=C3N=C5[N+]1=C(C(=C5CCC)CCC)N=C6N2C(=N4)C(=C6CCC)CCC)CCC)CCC)OC7=CC=CC=C7

DOS

IR

Vibrations