Geometry & MOs

Info

ID:	167856
PubChem CID:	74886678
Reduced:	ClOSN2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	3.57
IP(EA), eV:	-9.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CNC(NC1=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations