Geometry & MOs

Info

ID:	375267
PubChem CID:	131485258
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	4.58
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-amino(cyclohexyl)methyl]-4-bromophenol

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C1=C(C=CC(=C1)O)Br)N

DOS

IR

Vibrations