Geometry & MOs

Info

ID:	164338
PubChem CID:	74383025
Reduced:	ClO2F3N4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	-147.12
Dipole, Da:	6.48
IP(EA), eV:	-8.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-(1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-4,2'-3H-1-benzofuran]

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCOC2=NC3=NC(=O)C=CC3C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F

DOS

IR

Vibrations