Geometry & MOs

Info

ID:	381905
PubChem CID:	134972767
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	3.28
IP(EA), eV:	-8.39(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-but-3-en-2-yloxy-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@]2(C(N1)NC3=CC=CC=C32)CC=C

DOS

IR

Vibrations