Geometry & MOs

Info

ID:	135037
PubChem CID:	51802251
Reduced:	N5H9C15 (1)
Stoich.:	A5B9C15 (1)
Weight, g/mol:	508.308979
ΔH_f, kcal/mol:	183.86
Dipole, Da:	5.92
IP(EA), eV:	-10.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-2-(cyclohexylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2,3-diphenyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@H]([C@@]2(C#N)C(=C(C#N)C#N)N)C#N

DOS

IR

Vibrations