Geometry & MOs

Info

ID:	347649
PubChem CID:	127272515
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	8.42
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentylpiperazin-1-yl)-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)O)C

DOS

IR

Vibrations