Geometry & MOs

Info

ID:	143489
PubChem CID:	53216863
Reduced:	BrClON2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	1.43
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylphenyl)pyridin-3-ol

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1NC(=O)N2)Br)Cl

DOS

IR

Vibrations