Geometry & MOs

Info

ID:	342119
PubChem CID:	127264832
Reduced:	SN5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	352.158706
ΔH_f, kcal/mol:	147.13
Dipole, Da:	5.71
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CN(N=N3)CC4=CN=CC=C4

DOS

IR

Vibrations