Geometry & MOs

Info

ID:	312783
PubChem CID:	126608624
Reduced:	PN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	448.18383
ΔH_f, kcal/mol:	76.91
Dipole, Da:	5.66
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) 4-(4-iodoheptyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C)CNP(CC1=CC=CC=C1)C/N=C(\C=C)/C#N

DOS

IR

Vibrations