Geometry & MOs

Info

ID:	378584
PubChem CID:	134224675
Reduced:	OSN3H31C51 (1)
Stoich.:	ABC3D31E51 (1)
Weight, g/mol:	282.25588
ΔH_f, kcal/mol:	213.72
Dipole, Da:	3.09
IP(EA), eV:	-8.06(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-diethylcyclohexyl)-1,4-dimethoxycyclohexane

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=NC5=C(N=C4N6C7=C(C8=CC=CC=C8C=C7)C9=C6C=C1C(=C9)C2=C(S1)C1=CC=CC=C1C=C2)OC1=CC=CC=C15)C

DOS

IR

Vibrations