Geometry & MOs

Info

ID:	422963
PubChem CID:	135118695
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	5.51
IP(EA), eV:	-9.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)azetidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(C1)C(=O)N2CCCN(CC2)C(=O)C3=CSC=C3

DOS

IR

Vibrations