Geometry & MOs

Info

ID:	346550
PubChem CID:	127271054
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	2.99
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)C(C2=CC=CC=C2)N3CCSCC3

DOS

IR

Vibrations