Geometry & MOs

Info

ID:	130234
PubChem CID:	51075342
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	4.0
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC=C1)CN2CCCCCC2

DOS

IR

Vibrations