Geometry & MOs

Info

ID:	236911
PubChem CID:	92715846
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	5.1
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(4-methylphenyl)-6-[(3R)-3-methylpiperidine-1-carbonyl]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1COC2=C(N1)C=C(C=C2)Cl

DOS

IR

Vibrations