Geometry & MOs

Info

ID:	322703
PubChem CID:	126670854
Reduced:	BrO4N6H29C30 (1)
Stoich.:	AB4C6D29E30 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	3.86
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-N-(6-bromo-4-methoxypyridin-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(C=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5([C@H]4C5)C)C(=O)NC6=NC(=CC(=C6)OC)Br

DOS

IR

Vibrations