Geometry & MOs

Info

ID:	182406
PubChem CID:	76886618
Reduced:	O2N7C10H14 (1)
Stoich.:	A2B7C10D14 (1)
Weight, g/mol:	254.125314
ΔH_f, kcal/mol:	26.42
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865566
Charge, e:	1

Chem-info

IUPAC name:

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-2-ium-6-ylidene)amino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)N=C2C(=O)N(C(=O)[N+](=N2)C)C

DOS

IR

Vibrations