Geometry & MOs

Info

ID:	71410
PubChem CID:	48414809
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	6.49
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)NC(=O)C3=CC=CO3

DOS

IR

Vibrations