Geometry & MOs

Info

ID:	370308
PubChem CID:	127338006
Reduced:	FON5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	5.05
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC4=C3C=C(C=C4)F

DOS

IR

Vibrations