Geometry & MOs

Info

ID:	54891
PubChem CID:	17389495
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	244.951
ΔH_f, kcal/mol:	49.21
Dipole, Da:	4.38
IP(EA), eV:	-8.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CNC(=O)C2=CN=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations