Geometry & MOs

Info

ID:	369738
PubChem CID:	127335172
Reduced:	FON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	5.24
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations