Geometry & MOs

Info

ID:	369778
PubChem CID:	127335266
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	17.19
Dipole, Da:	5.84
IP(EA), eV:	-8.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=C2)C(=O)NC3CCCN(C3)C4=NN=C(C=C4)C)C

DOS

IR

Vibrations