Geometry & MOs

Info

ID:	36079
PubChem CID:	7980738
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	3.95
IP(EA), eV:	-8.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylamino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations