Geometry & MOs

Info

ID:	134329
PubChem CID:	51681223
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	5.55
Dipole, Da:	10.09
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[[(1R)-1-pyridin-4-ylethyl]amino]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC2=C(N=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations