Geometry & MOs

Info

ID:	386538
PubChem CID:	134982071
Reduced:	NO4C27H31 (1)
Stoich.:	AB4C27D31 (1)
Weight, g/mol:	276.099774
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	2.69
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxy-7-propan-2-yl-5H-cyclopenta[f][1,3]benzodioxole-6-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC3=C(C=C2C1(C)N4CCOCC4)OCO3)C5=CC=C(C=C5)C(=O)C

DOS

IR

Vibrations