Geometry & MOs

Info

ID:	279389
PubChem CID:	103843647
Reduced:	Cl2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	5.71
IP(EA), eV:	-10.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=C(N=C1)Cl)Cl)CO

DOS

IR

Vibrations