Geometry & MOs

Info

ID:	298771
PubChem CID:	117656433
Reduced:	NOH12C15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	260.120115
ΔH_f, kcal/mol:	74.35
Dipole, Da:	6.48
IP(EA), eV:	-8.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(3-phenylphenyl)phenol

Drug info:

PubChemData

Smile

C1CC(=CC=C1/C=C/C2=CC=C(C=C2)/C=C(/C#N)\C(=O)O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations