Geometry & MOs

Info

ID:	372397
PubChem CID:	131296965
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	5.26
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethyl)-2-(dimethylamino)thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CN)C1=CC2=C(CCS2(=O)=O)C=C1

DOS

IR

Vibrations