Geometry & MOs

Info

ID:	14831
PubChem CID:	422072
Reduced:	O2N3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	334.249452
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957604
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(decylamino)-2-oxoethyl]-N-methylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC

DOS

IR

Vibrations