Geometry & MOs

Info

ID:	209421
PubChem CID:	80670820
Reduced:	BrNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	357.13034
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	5.22
IP(EA), eV:	-9.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-(2-bromo-3-methoxypropyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCC(CC)N(CCBr)C(=O)C1=CC=C(O1)C

DOS

IR

Vibrations