Geometry & MOs

Info

ID:	156260
PubChem CID:	56369856
Reduced:	ClOSN3C17H22 (1)
Stoich.:	ABCD3E17F22 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	3.85
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC(=O)NCC2=CSC(=N2)C(C)(C)C

DOS

IR

Vibrations