Geometry & MOs

Info

ID:	155925
PubChem CID:	56368322
Reduced:	N3O5H21C24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	7.72
IP(EA), eV:	-8.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)NC4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations