Geometry & MOs

Info

ID:	33208
PubChem CID:	7885395
Reduced:	N3O6C19H19 (1)
Stoich.:	A3B6C19D19 (1)
Weight, g/mol:	396.04917
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	5.43
IP(EA), eV:	-9.64(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1-adamantyl)-2-(4-bromo-2-chlorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations