Geometry & MOs

Info

ID:	208017
PubChem CID:	80481482
Reduced:	BrOSN2C10H17 (1)
Stoich.:	ABCD2E10F17 (1)
Weight, g/mol:	303.06563
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	3.6
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-2-ethylhexan-1-amine

Drug info:

PubChemData

Smile

CN(C)CC(CNCC1=C(C=CS1)Br)O

DOS

IR

Vibrations