Geometry & MOs

Info

ID:	29627
PubChem CID:	835881
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	258.087866
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	4.9
IP(EA), eV:	-9.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=CC=NC=C2

DOS

IR

Vibrations