Geometry & MOs

Info

ID:	156085
PubChem CID:	56369080
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	5.88
IP(EA), eV:	-8.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)CC4=CC=CC=C4)O

DOS

IR

Vibrations