Geometry & MOs

Info

ID:	329402
PubChem CID:	126736232
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	484.264983
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	2.08
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2[C@@H](CC(OC3=CC=CC=C32)Br)CN1

DOS

IR

Vibrations