Geometry & MOs

Info

ID:	208475
PubChem CID:	80533759
Reduced:	NSBr2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	406.93771
ΔH_f, kcal/mol:	49.46
Dipole, Da:	3.03
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC2=C(CCC2)C=C1)C3=CC(=C(S3)Br)Br

DOS

IR

Vibrations