Geometry & MOs

Info

ID:	373614
PubChem CID:	131317846
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	9.37
Dipole, Da:	3.75
IP(EA), eV:	-9.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C2=NOC(=C2)C(=O)C

DOS

IR

Vibrations