Geometry & MOs

Info

ID:	144527
PubChem CID:	53382115
Reduced:	O3H7C14 (2)
Stoich.:	A3B7C14 (2)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	2.91
IP(EA), eV:	-8.65(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[6-[(3-carbamoylpyridin-1-ium-1-yl)methoxy]hexoxymethyl]pyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C5=C(C=CC(=C5)C(=O)O)OC6=CC=CC(=C64)C7=C(C=CC(=C73)O2)C(=O)O

DOS

IR

Vibrations