Geometry & MOs

Info

ID:	260624
PubChem CID:	103197879
Reduced:	BrON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	6.09
Dipole, Da:	3.3
IP(EA), eV:	-9.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=NC=NC=C3Br

DOS

IR

Vibrations