Geometry & MOs

Info

ID:	35304
PubChem CID:	7979657
Reduced:	BrClN2O4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	4.17
IP(EA), eV:	-9.58(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations