Geometry & MOs

Info

ID:	126828
PubChem CID:	50980204
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	9.68
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)C2=NC3=C(N2)CC(CNC3=O)C4=CC=CC=C4OC

DOS

IR

Vibrations