Geometry & MOs

Info

ID:	36121
PubChem CID:	7980788
Reduced:	ClNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	391.105587
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations