Geometry & MOs

Info

ID:	437102
PubChem CID:	135214873
Reduced:	NOC36H57 (1)
Stoich.:	ABC36D57 (1)
Weight, g/mol:	485.365765
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	4.09
IP(EA), eV:	-8.64(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[2-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3CCC(CC3)C4CCC(CC4)CN(C)C(=O)C=C)CC

DOS

IR

Vibrations