Geometry & MOs

Info

ID:	397323
PubChem CID:	135030042
Reduced:	NO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-240.41
Dipole, Da:	4.91
IP(EA), eV:	-9.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(2,4,6-trimethylphenyl)carbamoyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)NC1=CC=C(C=C1)C(=O)C)C(=O)OCC

DOS

IR

Vibrations