Geometry & MOs

Info

ID:	429517
PubChem CID:	135169566
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	345.172879
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	3.56
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxy-[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methanol

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)O)NC2=NC3=C(S2)C=C(C=C3)OCC4=CC(=NC=C4)N

DOS

IR

Vibrations