Geometry & MOs

Info

ID:	159799
PubChem CID:	57288762
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	698.563796
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	6.34
IP(EA), eV:	-8.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-butylcyclohexyl)cyclohexyl]-[[4-(4-butylcyclohexyl)cyclohexyl]-(4-methoxyphenyl)methoxy]methyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)(C)NCCCOC1=CC=CC=C1C(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations