Geometry & MOs

Info

ID:	373115
PubChem CID:	131310158
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	2.75
IP(EA), eV:	-10.39(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-amino(cyclopentyl)methyl]-3-bromo-6-methylphenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCBr)CCl)CC#N

DOS

IR

Vibrations