Geometry & MOs

Info

ID:	424516
PubChem CID:	135122981
Reduced:	F2O3N4H16C21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	558.09027
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	3.6
IP(EA), eV:	-9.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-1'-[(4-methoxyphenyl)methyl]-5'-[2-(3-nitrophenyl)pyrazol-3-yl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2[N+](=O)[O-])C3=CC=NN3C4=C(C=C(C=C4)F)F)C5(C1=O)CCC5

DOS

IR

Vibrations