Geometry & MOs

Info

ID:	373916
PubChem CID:	131321272
Reduced:	BrNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	293.02268
ΔH_f, kcal/mol:	22.5
Dipole, Da:	6.27
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-amino-3-methylbutyl)-4-bromo-2,3-difluorophenol

Drug info:

PubChemData

Smile

CCC1=C2C=CC=C(C2C(=O)N=C1)Br

DOS

IR

Vibrations