Geometry & MOs

Info

ID:	398990
PubChem CID:	135036801
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-108.28
Dipole, Da:	4.38
IP(EA), eV:	-10.2(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2S)-but-3-yn-2-yl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)C)C=C(C1=O)C(=O)C)OC

DOS

IR

Vibrations