Geometry & MOs

Info

ID:	198574
PubChem CID:	79120274
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	5.81
Dipole, Da:	7.22
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-N-(4-oxocyclohexyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCC(=O)CC1)C2=C(C=C3CCCC3=N2)C#N

DOS

IR

Vibrations