Geometry & MOs

Info

ID:	201881
PubChem CID:	79596214
Reduced:	BrSN3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	353.00851
ΔH_f, kcal/mol:	58.62
Dipole, Da:	1.7
IP(EA), eV:	-8.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=CSC=C2Br

DOS

IR

Vibrations