Geometry & MOs

Info

ID:	291901
PubChem CID:	113635242
Reduced:	ON2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	3.91
IP(EA), eV:	-8.79(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-3-methylpiperazin-1-yl]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC(=O)NC(=O)NCC(C)C

DOS

IR

Vibrations