Geometry & MOs

Info

ID:	317707
PubChem CID:	126645212
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	430.186813
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	4.57
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-[3-(2-methylpropyl)-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CN(N=C3)C4CC4

DOS

IR

Vibrations