Geometry & MOs

Info

ID:	193671
PubChem CID:	78422696
Reduced:	N4O5H12C15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	287.133043
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	6.96
IP(EA), eV:	-8.83(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanimine

Drug info:

PubChemData

Smile

COC1=CC(=CNC2C=CC3=NC(=O)NC3=C2)C=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations