Geometry & MOs

Info

ID:	144629
PubChem CID:	53389385
Reduced:	OF3N5H12C19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	313.09819
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	6.02
IP(EA), eV:	-9.27(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)C2=NC3=C(C=C2)N=CN3C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations