Geometry & MOs

Info

ID:	369785
PubChem CID:	127335273
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	7.46
Dipole, Da:	6.28
IP(EA), eV:	-8.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations