Geometry & MOs

Info

ID:	274213
PubChem CID:	103807745
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	425.94352
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	5.74
IP(EA), eV:	-9.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1OCCCN)C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations