Geometry & MOs

Info

ID:	25776
PubChem CID:	630527
Reduced:	NiON2C30H42 (1)
Stoich.:	ABC2D30E42 (1)
Weight, g/mol:	445.334465
ΔH_f, kcal/mol:	57.11
Dipole, Da:	3.18
IP(EA), eV:	-7.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N=CC=NC2=C(C=CC=C2C(C)C)C(C)C.CC(=O)[CH-][CH2-].[Ni+2]

DOS

IR

Vibrations