Geometry & MOs

Info

ID:	285390
PubChem CID:	104104174
Reduced:	ClNSO2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	2.06
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-(oxazinane-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CCSC2=CC=CC=C2Cl

DOS

IR

Vibrations