Geometry & MOs

Info

ID:	29087
PubChem CID:	831494
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	4.63
IP(EA), eV:	-8.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC#N

DOS

IR

Vibrations