Geometry & MOs

Info

ID:	37246
PubChem CID:	8018718
Reduced:	NCl2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	5.13
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-cyanocyclohexyl)-2-(4-propanoylphenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)COC

DOS

IR

Vibrations