Geometry & MOs

Info

ID:	317690
PubChem CID:	126645134
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	432.166077
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	3.09
IP(EA), eV:	-7.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-[5-(trifluoromethyl)spiro[2H-indole-3,3'-oxolane]-1-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CC(C2)C(=O)OC)N3C=CC4=C3C=CC(=C4)OC

DOS

IR

Vibrations