Geometry & MOs

Info

ID:	169276
PubChem CID:	75084263
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-20.74
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(hydroxymethyl)-7-phenyl-2,3-dihydro-1H-isoindol-1-yl]ethanol

Drug info:

PubChemData

Smile

C1C2=CC(=O)N(C(=C2C(N1)CCO)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations