Geometry & MOs

Info

ID:	36090
PubChem CID:	7980754
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	380.100836
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	5.35
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations