Geometry & MOs

Info

ID:	208005
PubChem CID:	80480415
Reduced:	BrOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	316.06088
ΔH_f, kcal/mol:	15.12
Dipole, Da:	1.3
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CNCC2=CC=C(O2)CN

DOS

IR

Vibrations