Geometry & MOs

Info

ID:	36085
PubChem CID:	7980746
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	5.39
IP(EA), eV:	-8.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations