Geometry & MOs

Info

ID:	437113
PubChem CID:	135214899
Reduced:	NOC33H55 (1)
Stoich.:	ABC33D55 (1)
Weight, g/mol:	525.381809
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	4.37
IP(EA), eV:	-8.89(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[4-[4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]phenyl]cyclohexyl]oxyethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(=CC2)C3CCC(CC3)C4CCC(CC4)N(C)C(=O)C=C

DOS

IR

Vibrations