Geometry & MOs

Info

ID:	135270
PubChem CID:	51845064
Reduced:	NOC13H20 (2)
Stoich.:	ABC13D20 (2)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	2.56
IP(EA), eV:	-9.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pent-3-en-2-yl]-N-phenylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1)C(=O)C2CCCCC2

DOS

IR

Vibrations