Geometry & MOs

Info

ID:	417394
PubChem CID:	135093185
Reduced:	ClN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	3.51
IP(EA), eV:	-9.85(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-1-[2-(4-fluorophenyl)azetidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=O)NC2)C3=NOC(=C3C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations