Geometry & MOs

Info

ID:	273896
PubChem CID:	103805719
Reduced:	OSBr2N2C14H20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	344.0558
ΔH_f, kcal/mol:	-17.03
Dipole, Da:	4.1
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)NCC1CCCN(C1)C(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations