Geometry & MOs

Info

ID:	329516
PubChem CID:	126737746
Reduced:	SN3H33C53 (1)
Stoich.:	AB3C33D53 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	252.57
Dipole, Da:	3.59
IP(EA), eV:	-7.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-ethynyl-2-(methoxymethyl)-5-methyloxolane

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(C6=CC=CC=C64)N(C7=CC=CC=C75)C8=NC9=C(C(=N8)C1=CC2=CC=CC=C2C2=CC=CC=C21)SC1=CC=CC=C19)C

DOS

IR

Vibrations