Geometry & MOs

Info

ID:	296190
PubChem CID:	117559818
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	271.05718
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	1.97
IP(EA), eV:	-8.32(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-3-methylanilino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)(C)C(=O)OCC

DOS

IR

Vibrations