Geometry & MOs

Info

ID:	270610
PubChem CID:	103637308
Reduced:	BrNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	5.08
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(3,3-dimethylbutylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)Br)O)COC

DOS

IR

Vibrations