Geometry & MOs

Info

ID:	142132
PubChem CID:	52986905
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	371.091093
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	3.91
IP(EA), eV:	-9.31(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-4-ium-2-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)(C)CNC(=O)C2=C(N(N=C2)C3CCC(=O)NN3)C

DOS

IR

Vibrations