Geometry & MOs

Info

ID:	317679
PubChem CID:	126644962
Reduced:	N2F3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	442.186813
ΔH_f, kcal/mol:	-235.02
Dipole, Da:	3.38
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1CN(C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C(F)(F)F)C5(C3=O)CCCC5

DOS

IR

Vibrations