Geometry & MOs

Info

ID:	151161
PubChem CID:	53790861
Reduced:	O7C35H60 (1)
Stoich.:	A7B35C60 (1)
Weight, g/mol:	405.33955
ΔH_f, kcal/mol:	-353.82
Dipole, Da:	3.46
IP(EA), eV:	-9.11(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[4-(4-butylphenyl)butyl]cyclohexyl]cyclohexyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(CCCC1(C(CCC(=CCOC2CCOCC2)CO1)OC3CCOCC3)C)C(CC=C(C)C)OC4CCOCC4

DOS

IR

Vibrations