Geometry & MOs

Info

ID:	202905
PubChem CID:	79741619
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	417.92248
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	2.24
IP(EA), eV:	-9.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(3-bromo-4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene

Drug info:

PubChemData

Smile

CN1C(=O)CC(C1=O)NC2CCNC2

DOS

IR

Vibrations