Geometry & MOs

Info

ID:	174523
PubChem CID:	75777788
Reduced:	FO2N4C25H37 (1)
Stoich.:	AB2C4D25E37 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	4.44
IP(EA), eV:	-8.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1-[6-(3-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C3=NOC(=N3)CCC)F

DOS

IR

Vibrations