Geometry & MOs

Info

ID:	156065
PubChem CID:	56368982
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	433.163771
ΔH_f, kcal/mol:	-98.84
Dipole, Da:	6.72
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(/C#N)\C(=O)N(C)CC(C)C(=O)OC

DOS

IR

Vibrations