Geometry & MOs

Info

ID:	29088
PubChem CID:	831496
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	4.09
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CC[C@@H](C)N1CCN(CC1)C(=O)C2=CC=CO2

DOS

IR

Vibrations