Geometry & MOs

Info

ID:	389101
PubChem CID:	134991149
Reduced:	N2Zn2O3C45H51 (1)
Stoich.:	A2B2C3D45E51 (1)
Weight, g/mol:	194.203451
ΔH_f, kcal/mol:	40.16
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754589
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5,5-dimethylhex-1-enyl]cyclohexane

Drug info:

PubChemData

Smile

C[CH2-].CC1=CC(=C(C(=C1)CN2CCCC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)CN5CCCC5C(C6=CC=CC=C6)(C7=CC=CC=C7)O.[Zn].[Zn+2]

DOS

IR

Vibrations