Geometry & MOs

Info

ID:	36101
PubChem CID:	7980765
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	4.16
IP(EA), eV:	-9.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations