Geometry & MOs

Info

ID:	314752
PubChem CID:	126623000
Reduced:	BrO3N8C33H35 (1)
Stoich.:	AB3C8D33E35 (1)
Weight, g/mol:	333.02435
ΔH_f, kcal/mol:	23.25
Dipole, Da:	4.89
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-N-(6-bromo-3-methylpyridin-2-yl)-5-methylpyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2CC3(CC3N2C(=O)CN4C5=C(C=C(C=C5)C6=CN=C(N=C6)C)C(=N4)C(=O)C)CN7CCCC7

DOS

IR

Vibrations