Geometry & MOs

Info

ID:	275946
PubChem CID:	103819351
Reduced:	OBr2N3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	25.93
Dipole, Da:	3.39
IP(EA), eV:	-9.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)cyclooctanecarboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)NC(=O)C2=NC=C(C=C2)Br

DOS

IR

Vibrations