Geometry & MOs

Info

ID:	427833
PubChem CID:	135164035
Reduced:	NH39C50 (1)
Stoich.:	AB39C50 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	159.65
Dipole, Da:	2.98
IP(EA), eV:	-8.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethoxy-5-(4-pentylcyclohexen-1-yl)benzene

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC6=CC=CC=C6C=C5)C7=C2C=CC(=C7)C8=CC=C(C=C8)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations