Geometry & MOs

Info

ID:	36038
PubChem CID:	7980681
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	4.25
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations