Geometry & MOs

Info

ID:	369782
PubChem CID:	127335270
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	4.46
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutanoyl)-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)C3CCOC4=CC=CC=C34

DOS

IR

Vibrations