Geometry & MOs

Info

ID:	310612
PubChem CID:	126583736
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	413.15795
ΔH_f, kcal/mol:	19.98
Dipole, Da:	5.96
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodocyclohexyl)-1-(4-methylcyclohexyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC/C=C(\C)/C1=CC=C(C=C1)C2=NC=C(N2CC3=CC=CC=C3O)C

DOS

IR

Vibrations