Geometry & MOs

Info

ID:	69951
PubChem CID:	47205920
Reduced:	OSN5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	43.18
Dipole, Da:	5.41
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC3=NC(=CN3C)O)C

DOS

IR

Vibrations