Geometry & MOs

Info

ID:	207960
PubChem CID:	80474680
Reduced:	BrNSH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	324.97721
ΔH_f, kcal/mol:	43.39
Dipole, Da:	2.38
IP(EA), eV:	-8.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)C2=C(C=CS2)Br

DOS

IR

Vibrations