Geometry & MOs

Info

ID:	390250
PubChem CID:	134998025
Reduced:	NO3C25H41 (1)
Stoich.:	AB3C25D41 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-158.24
Dipole, Da:	2.41
IP(EA), eV:	-8.47(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7aR)-5-methoxy-3-methyl-3-phenyl-2-propan-2-yl-3a,7a-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1[C@H](C(=CC=C1C(=O)N2C(CCCC2(C)C)(C)C)OC)C3(CCC3)O

DOS

IR

Vibrations