Geometry & MOs

Info

ID:	156331
PubChem CID:	56370122
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	58.68
Dipole, Da:	5.02
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)methyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)CNC(=O)CCC3=CSC=N3

DOS

IR

Vibrations