Geometry & MOs

Info

ID:	405027
PubChem CID:	135072236
Reduced:	ClNO5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	447.144865
ΔH_f, kcal/mol:	-216.38
Dipole, Da:	4.08
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-[4-chloro-N-[(4-methoxyphenyl)methyl]anilino]-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)N(C)C1=CC=C(C=C1)Cl)C(=O)OCC

DOS

IR

Vibrations