Geometry & MOs

Info

ID:	70192
PubChem CID:	47211601
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	5.79
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-1-oxidopyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C2=C[N+](=CC=C2)[O-]

DOS

IR

Vibrations