Geometry & MOs

Info

ID:	165963
PubChem CID:	74619873
Reduced:	SN2O6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-195.17
Dipole, Da:	6.01
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC4=C(C(=C3)OC)OCCO4

DOS

IR

Vibrations