Geometry & MOs

Info

ID:	402979
PubChem CID:	135058145
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	260.120115
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	3.88
IP(EA), eV:	-8.1(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2-phenylphenyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C(CC(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations