Geometry & MOs

Info

ID:	314797
PubChem CID:	126623232
Reduced:	BrO4N7H22C26 (1)
Stoich.:	AB4C7D22E26 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-29.29
Dipole, Da:	5.79
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-3-methylpyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CC(=O)C[C@H]4C(=O)NC5=NC(=CC=C5)Br

DOS

IR

Vibrations