Geometry & MOs

Info

ID:	189406
PubChem CID:	77850793
Reduced:	S2O3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	9.81
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCCN1CCN(C2C1CS(=O)(=O)C2)C(=O)C3=C(N=C(S3)N)CC

DOS

IR

Vibrations