Geometry & MOs

Info

ID:	156295
PubChem CID:	56369999
Reduced:	BrSO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	2.61
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)C)OC)Br

DOS

IR

Vibrations