Geometry & MOs

Info

ID:	162055
PubChem CID:	57393460
Reduced:	Cl2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	3.79
IP(EA), eV:	-9.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyridin-2-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1O)C(=O)N2CC(C2)OC(C3=CC=C(C=C3)Cl)C4=C(N=CC=C4)Cl

DOS

IR

Vibrations