Geometry & MOs

Info

ID:	424727
PubChem CID:	135123718
Reduced:	O3N5C33H35 (1)
Stoich.:	A3B5C33D35 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	12.96
Dipole, Da:	4.72
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C6=CN=NN6C7=CC=CC=C7

DOS

IR

Vibrations