Geometry & MOs

Info

ID:	303112
PubChem CID:	124489223
Reduced:	BrC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	2.18
IP(EA), eV:	-9.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCCCCC[C@H](C1=CC=CC=C1)Br

DOS

IR

Vibrations