Geometry & MOs

Info

ID:	296997
PubChem CID:	117605328
Reduced:	ClNOC4H8 (1)
Stoich.:	ABCD4E8 (1)
Weight, g/mol:	323.159354
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	4.35
IP(EA), eV:	-10.34(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)-2-methyl-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC(C)(C(=N)Cl)O

DOS

IR

Vibrations