Geometry & MOs

Info

ID:	274186
PubChem CID:	103807612
Reduced:	BrClON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	409.94861
ΔH_f, kcal/mol:	-42.65
Dipole, Da:	3.0
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dibromothiophen-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations