Geometry & MOs

Info

ID:	351191
PubChem CID:	127279749
Reduced:	BrO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	7.16
IP(EA), eV:	-8.24(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[phenyl(pyridin-3-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)NC2CCN(C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations