Geometry & MOs

Info

ID:	424515
PubChem CID:	135122972
Reduced:	O3N4C34H36 (1)
Stoich.:	A3B4C34D36 (1)
Weight, g/mol:	410.119047
ΔH_f, kcal/mol:	-12.87
Dipole, Da:	2.28
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-methyl-7'-nitrospiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)N6C=CN=C6C7=CC=CC=C7

DOS

IR

Vibrations