Geometry & MOs

Info

ID:	163197
PubChem CID:	57654739
Reduced:	N2O5C44H50 (1)
Stoich.:	A2B5C44D50 (1)
Weight, g/mol:	460.370516
ΔH_f, kcal/mol:	-171.33
Dipole, Da:	2.31
IP(EA), eV:	-8.09(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(4-methylphenyl)-2-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)C6=CC(=C(C(=C6)C)OCCCC)C

DOS

IR

Vibrations