Geometry & MOs

Info

ID:	382953
PubChem CID:	134974402
Reduced:	OC10H13 (4)
Stoich.:	AB10C13 (4)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	3.17
IP(EA), eV:	-8.14(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-2-propan-2-yl-4-pyrrolidin-1-yl-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CCCO[C@H]1[C@@H]2CCC=C1CC3=CC=CC(=C3OCCC)CC4=CC=CC(=C4OCCC)CC5=C(C(=CC=C5)C2)OCCC

DOS

IR

Vibrations