Geometry & MOs

Info

ID:	399879
PubChem CID:	135043435
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	4.66
IP(EA), eV:	-8.95(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol

Drug info:

PubChemData

Smile

C1CC2C=CCC3C2C(=O)N(C1)CC3

DOS

IR

Vibrations