Geometry & MOs

Info

ID:	424599
PubChem CID:	135123268
Reduced:	O3N4H30C34 (1)
Stoich.:	A3B4C30D34 (1)
Weight, g/mol:	513.27399
ΔH_f, kcal/mol:	31.13
Dipole, Da:	2.7
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4=CC=CC=N4)C5=CC=NN5C6=CC=CC=C6)C7(C2=O)CCCC7

DOS

IR

Vibrations