Geometry & MOs

Info

ID:	207849
PubChem CID:	80461170
Reduced:	BrClON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	11.63
Dipole, Da:	2.64
IP(EA), eV:	-9.4(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-hydroxybutyl)-4-methoxy-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)C2=CN=C(C=C2)Cl)CC

DOS

IR

Vibrations