Geometry & MOs

Info

ID:	349083
PubChem CID:	127274809
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-106.07
Dipole, Da:	5.78
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CC(=O)N4CCCC4

DOS

IR

Vibrations