Geometry & MOs

Info

ID:	163057
PubChem CID:	57588014
Reduced:	Cl2N2O3C28H28 (1)
Stoich.:	A2B2C3D28E28 (1)
Weight, g/mol:	481.132382
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	6.44
IP(EA), eV:	-9.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3,4-dichlorophenyl)-pyridin-2-ylmethyl]amino]-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3CO2)C(=O)CN[C@H](C4=CC=C(C=C4)Cl)[C@H](C5=CC=CC=C5Cl)O

DOS

IR

Vibrations