Geometry & MOs

Info

ID:	369773
PubChem CID:	127335257
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	7.23
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations