Geometry & MOs

Info

ID:

174876

PubChem CID:

75826005

Reduced:

S2O4N5H16C17 (1)

Stoich.:

A2B4C5D16E17 (1)

Weight, g/mol:

366.218152

ΔHf, kcal/mol:

-48.57

Dipole, Da:

6.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.879668

Charge, e:

 1

Chem-info

IUPAC name:

3-(cyclopropanecarbonylamino)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)N=C(CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)[O-]

DOS

IR

Vibrations