Geometry & MOs

Info

ID:	27648
PubChem CID:	822791
Reduced:	BrN4H7C13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	143.08
Dipole, Da:	8.6
IP(EA), eV:	-8.74(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylethanol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=NC4=C(N3)C=C(C=N4)Br)N=C2C=C1

DOS

IR

Vibrations