Geometry & MOs

Info

ID:	155875
PubChem CID:	56368060
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-165.18
Dipole, Da:	10.76
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=C(C=C(S2)NC(=O)C(C)(C)C)C

DOS

IR

Vibrations