Geometry & MOs

Info

ID:	424587
PubChem CID:	135123245
Reduced:	O3N4C35H38 (1)
Stoich.:	A3B4C35D38 (1)
Weight, g/mol:	465.205242
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	2.7
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=CC3=C(C(=C2)OC4CCN(CC4)C)N(C(=O)C35CCC5)CC6=CC=C(C=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations