Geometry & MOs

Info

ID:	208476
PubChem CID:	80533918
Reduced:	NOSBr2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	458.77843
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	4.08
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(S1)Br)Br)C2=C(OC(=C2C)C)C

DOS

IR

Vibrations