Geometry & MOs

Info

ID:	374947
PubChem CID:	131407686
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	229.032813
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	3.12
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-5-chloro-2,4-dihydrothiochromen-3-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C(=O)C)Br)C=O

DOS

IR

Vibrations