Geometry & MOs

Info

ID:	352022
PubChem CID:	127282940
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-178.69
Dipole, Da:	4.97
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCC4)O)C

DOS

IR

Vibrations