Geometry & MOs

Info

ID:	155922
PubChem CID:	56368308
Reduced:	BrON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	455.19574
ΔH_f, kcal/mol:	49.28
Dipole, Da:	6.13
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N)Br

DOS

IR

Vibrations