Geometry & MOs

Info

ID:	396561
PubChem CID:	135028771
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	316.14633
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	3.98
IP(EA), eV:	-8.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-3-hydroxy-1-(4-phenylphenyl)prop-1-enyl]-4-methylphenol

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C=CC(=C2)OC)N(C1=O)C)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations