Geometry & MOs

Info

ID:	424598
PubChem CID:	135123267
Reduced:	BrN2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	542.231791
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	7.17
IP(EA), eV:	-8.58(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)-7'-pyridin-2-yloxyspiro[cyclopentane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN(C)/C=C/C(=O)C1=CC2=C(C(=C1)Br)N(C(=O)C23CCC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations