Geometry & MOs

Info

ID:	166239
PubChem CID:	74655082
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	2.49
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations