Geometry & MOs

Info

ID:	425539
PubChem CID:	135126657
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	562.294391
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	4.52
IP(EA), eV:	-9.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-5'-(4-methyl-2-phenylpyrazol-3-yl)-7'-(1-methylpiperidin-4-yl)oxyspiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C(C)(C)C(=O)O)OCC2=CN(N=N2)C)CO

DOS

IR

Vibrations