Geometry & MOs

Info

ID:	397728
PubChem CID:	135030630
Reduced:	BrO5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	-155.14
Dipole, Da:	2.97
IP(EA), eV:	-9.55(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-pyridin-2-ylphenyl)phenol

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@]2(O1)CCCC=C2Br)C#CCOCC(=C)C3(OCCO3)C)C

DOS

IR

Vibrations