Geometry & MOs

Info

ID:	384962
PubChem CID:	134978039
Reduced:	H5C6 (2)
Stoich.:	A5B6 (2)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	161.67
Dipole, Da:	0.01
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-4-yl)-2,2-dimethyl-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCC#CC#CC#CC#CCC

DOS

IR

Vibrations