Geometry & MOs

Info

ID:	134857
PubChem CID:	51769111
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	376.308979
ΔH_f, kcal/mol:	-130.55
Dipole, Da:	7.8
IP(EA), eV:	-9.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-N-cyclohexyl-2-[3-cyclohexylpropanoyl(methyl)amino]hept-3-enamide

Drug info:

PubChemData

Smile

CN([C@H](C1=CC=C(C=C1)OC)C(=O)NC2CCCCC2)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations