Geometry & MOs

Info

ID:	36080
PubChem CID:	7980739
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	369.076786
ΔH_f, kcal/mol:	-116.82
Dipole, Da:	4.08
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations