Geometry & MOs

Info

ID:	372270
PubChem CID:	131295215
Reduced:	SN2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	18.21
Dipole, Da:	3.48
IP(EA), eV:	-7.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-4-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CN(C2=C(N1)C=CS2)C)C

DOS

IR

Vibrations