Geometry & MOs

Info

ID:	295947
PubChem CID:	117548422
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	3.48
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1(COC1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations