Geometry & MOs

Info

ID:	438078
PubChem CID:	135227649
Reduced:	BrNC6H8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	193.092521
ΔH_f, kcal/mol:	26.51
Dipole, Da:	2.64
IP(EA), eV:	-8.36(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7,7-trimethyl-5,6-dihydrocyclohepta[d][1,3]thiazole

Drug info:

PubChemData

Smile

C/C=C/1\CNC=C1Br

DOS

IR

Vibrations