Geometry & MOs

Info

ID:	156000
PubChem CID:	56368699
Reduced:	BrClON4H10C15 (1)
Stoich.:	ABCD4E10F15 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	57.18
Dipole, Da:	6.07
IP(EA), eV:	-9.05(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=C(N=CC(=C2)Br)Cl)N3C=CN=C3

DOS

IR

Vibrations