Geometry & MOs

Info

ID:	398399
PubChem CID:	135033122
Reduced:	N3O4C10H17 (1)
Stoich.:	A3B4C10D17 (1)
Weight, g/mol:	363.110673
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	5.93
IP(EA), eV:	-9.77(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-[hydroxy-(2-hydroxyphenyl)methyl]-2-(2-hydroxyphenyl)isoindol-1-one

Drug info:

PubChemData

Smile

CCC1(OC2[C@H](O[C@H](C2O1)O)CN=[N+]=[N-])CC

DOS

IR

Vibrations