Geometry & MOs

Info

ID:	51666
PubChem CID:	12014374
Reduced:	NO2C32H35 (1)
Stoich.:	AB2C32D35 (1)
Weight, g/mol:	513.16673
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	2.28
IP(EA), eV:	-9.02(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-2-bromo-N-tritylacetamide

Drug info:

PubChemData

Smile

COC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations