Geometry & MOs

Info

ID:	31094
PubChem CID:	854474
Reduced:	O2H10C11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	5.76
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-7-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O[C@H]4CCCCC4=O

DOS

IR

Vibrations