Geometry & MOs

Info

ID:	156060
PubChem CID:	56368970
Reduced:	BrClN3O4C20H23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	454.164105
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	1.81
IP(EA), eV:	-8.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)C2=C(N=CC(=C2)Br)Cl)OCC)N3CCOCC3

DOS

IR

Vibrations