Geometry & MOs

Info

ID:	196199
PubChem CID:	78795811
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	1.81
IP(EA), eV:	-9.09(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-1-adamantyl)-N-(3-hydroxypropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(CCO)CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations