Geometry & MOs

Info

ID:

193424

PubChem CID:

78392523

Reduced:

N9O15C47H65 (1)

Stoich.:

A9B15C47D65 (1)

Weight, g/mol:

372.075596

ΔHf, kcal/mol:

-672.31

Dipole, Da:

3.14

IP(EA), eV:

 -9.17(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[2-(methylcarbamoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl-oxoazanium;dichloride

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)C)NC(=O)C(CC(=O)O)NC(=O)C)O

DOS

IR

Vibrations