Geometry & MOs

Info

ID:	291638
PubChem CID:	113454652
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	300.08373
ΔH_f, kcal/mol:	29.33
Dipole, Da:	4.02
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-3-(dimethylamino)-3-methylpentan-2-ol

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)C(CC3=CC(=CN=C3)Br)O

DOS

IR

Vibrations