Geometry & MOs

Info

ID:	43204
PubChem CID:	10319533
Reduced:	OCl2N2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	412.10379
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	4.1
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(1-adamantyl)-2-bromoethyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations