Geometry & MOs

Info

ID:	370264
PubChem CID:	127337931
Reduced:	SO3N5C17H27 (1)
Stoich.:	AB3C5D17E27 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	7.44
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations