Geometry & MOs

Info

ID:	291642
PubChem CID:	113454823
Reduced:	BrN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	305.04153
ΔH_f, kcal/mol:	66.88
Dipole, Da:	2.75
IP(EA), eV:	-9.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-2-(4-methylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CNC(CC1=NC=C(C=C1)Br)C2=CC=NC=C2

DOS

IR

Vibrations