Geometry & MOs

Info

ID:	375266
PubChem CID:	131485255
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	273.03644
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	4.57
IP(EA), eV:	-9.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromophenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C#N)C)Br

DOS

IR

Vibrations