Geometry & MOs

Info

ID:	29899
PubChem CID:	838057
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	5.89
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=CC(=C(C=C1OC)OC)OC

DOS

IR

Vibrations