Geometry & MOs

Info

ID:	374055
PubChem CID:	131323034
Reduced:	BrO2N3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-37.61
Dipole, Da:	8.21
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-(chloromethyl)-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=NC(CCN2N1)C(=O)O)Br

DOS

IR

Vibrations