Geometry & MOs

Info

ID:	134038
PubChem CID:	51628601
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	372.192331
ΔH_f, kcal/mol:	30.28
Dipole, Da:	1.98
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[[2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@H]1C[NH2+]CC2=CC(=CC=C2)OC3=NC=CC=N3

DOS

IR

Vibrations