Geometry & MOs

Info

ID:	121888
PubChem CID:	50785578
Reduced:	S2O4N5C21H21 (1)
Stoich.:	A2B4C5D21E21 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	4.91
IP(EA), eV:	-8.51(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=CS2)N3C1=NN=C3SCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations