Geometry & MOs

Info

ID:

317549

PubChem CID:

126643247

Reduced:

BrF2O5N7H26C29 (1)

Stoich.:

AB2C5D7E26F29 (1)

Weight, g/mol:

345.02435

ΔHf, kcal/mol:

-182.28

Dipole, Da:

3.55

IP(EA), eV:

 -9.34(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R)-N-(6-bromo-3-methylpyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=C(C=C5)F)Br)F

DOS

IR

Vibrations