Geometry & MOs

Info

ID:	269375
PubChem CID:	103617212
Reduced:	BrClNOSC14H15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	374.96954
ΔH_f, kcal/mol:	6.47
Dipole, Da:	3.44
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations