Geometry & MOs

Info

ID:	437103
PubChem CID:	135214877
Reduced:	NOC34H47 (1)
Stoich.:	ABC34D47 (1)
Weight, g/mol:	471.350115
ΔH_f, kcal/mol:	-51.78
Dipole, Da:	3.55
IP(EA), eV:	-8.55(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C4=CC=C(C=C4)N(C)C(=O)C=C)C

DOS

IR

Vibrations