Geometry & MOs

Info

ID:	54890
PubChem CID:	17389491
Reduced:	C5O6H12N12 (1)
Stoich.:	A5B6C12D12 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	14.44
Dipole, Da:	1.0
IP(EA), eV:	-9.59(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(N-phenylanilino)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C(NN)(C(=O)N/N=C(/N[N+](=O)[O-])\N)C(=O)N/N=C(/N[N+](=O)[O-])\N

DOS

IR

Vibrations