Geometry & MOs

Info

ID:	372762
PubChem CID:	131304203
Reduced:	BrN3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	236.011885
ΔH_f, kcal/mol:	42.48
Dipole, Da:	5.47
IP(EA), eV:	-9.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(trifluoromethyl)-3,4-dihydro-2H-thieno[3,4-b]pyran-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CN=C2CC#N)Br

DOS

IR

Vibrations