Geometry & MOs

Info

ID:	372118
PubChem CID:	131293387
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-85.57
Dipole, Da:	5.67
IP(EA), eV:	-9.76(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=C(C=CC(=C2O)Br)C(=O)O)N

DOS

IR

Vibrations