Geometry & MOs

Info

ID:	191043
PubChem CID:	78099495
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	379.105587
ΔH_f, kcal/mol:	-264.33
Dipole, Da:	3.81
IP(EA), eV:	-9.46(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4'-(3-nitrophenyl)-2-oxospiro[1-benzofuran-3,5'-cyclopentene]-1'-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC2C1CC(=C2)CCCCC(=O)OC)O)OC(=O)C

DOS

IR

Vibrations