Geometry & MOs

Info

ID:	381184
PubChem CID:	134971837
Reduced:	NPO4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-147.49
Dipole, Da:	3.78
IP(EA), eV:	-9.0(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4-dimethylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H](C(=C)C2=CC=CC=C2CN1P)OC(=O)C

DOS

IR

Vibrations