Geometry & MOs

Info

ID:	347658
PubChem CID:	127272524
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	16.15
Dipole, Da:	7.6
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCN(CC2)C(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations