Geometry & MOs

Info

ID:	398400
PubChem CID:	135033127
Reduced:	NO5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	361.095023
ΔH_f, kcal/mol:	-131.21
Dipole, Da:	4.07
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-(2-hydroxybenzoyl)-2-(2-hydroxyphenyl)isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2(C(C3=CC=CC=C3O)O)O)C4=CC=CC=C4O

DOS

IR

Vibrations