Geometry & MOs

Info

ID:	170763
PubChem CID:	75277291
Reduced:	N10C34H39 (1)
Stoich.:	A10B34C39 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	246.07
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.857591
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(N=N1)C(CC2=CC=CC=C2)C3=CN(N=N3)C(CC4=CC=CC=C4)C5=CN(N=N5)C(C)C6=CC=CC=C6)[NH3+]

DOS

IR

Vibrations