Geometry & MOs

Info

ID:	318301
PubChem CID:	126650396
Reduced:	ClO2N3C28H30 (1)
Stoich.:	AB2C3D28E30 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	5.31
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4S)-4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)Cl

DOS

IR

Vibrations