Geometry & MOs

Info

ID:	371822
PubChem CID:	131273531
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	2.96
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-formyl-5-methyl-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)[C@H](C2CC2)N)CO

DOS

IR

Vibrations