Geometry & MOs

Info

ID:	45497
PubChem CID:	10514186
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	4.79
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene-1,4-diol

Drug info:

PubChemData

Smile

CN1C=C2C(=C1)C(=O)N(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations