Geometry & MOs

Info

ID:	136359
PubChem CID:	52027986
Reduced:	BrON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	398.07422
ΔH_f, kcal/mol:	25.55
Dipole, Da:	6.15
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[(2R)-2-(5-bromo-1-methylindol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)Br)[C@@H]3CCCN3C(=O)C4=C(N=CC=C4)N

DOS

IR

Vibrations