Geometry & MOs

Info

ID:	437112
PubChem CID:	135214898
Reduced:	NOC42H67 (1)
Stoich.:	ABC42D67 (1)
Weight, g/mol:	481.428365
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	4.32
IP(EA), eV:	-8.91(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC3CC(CCC3C2)C4CCC(CC4)C5=C(C=C(C=C5)CCCN(C)C(=O)C=C)CC

DOS

IR

Vibrations