Geometry & MOs

Info

ID:	36097
PubChem CID:	7980761
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	3.89
IP(EA), eV:	-9.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations