Geometry & MOs

Info

ID:	37247
PubChem CID:	8018731
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	5.81
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)O[C@@H](C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations