Geometry & MOs

Info

ID:	424734
PubChem CID:	135123737
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	544.211055
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	1.82
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2N=N1)C)C(CC(=O)O)C3=CC(=C(C=C3)C)CO)OC

DOS

IR

Vibrations