Geometry & MOs

Info

ID:	319143
PubChem CID:	126655121
Reduced:	BrNC6H8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	15.31
Dipole, Da:	4.23
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(6-methylpyridin-2-yl)-2-oxabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC=C(N=C1)Br

DOS

IR

Vibrations