Geometry & MOs

Info

ID:	27761
PubChem CID:	823461
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	293.061885
ΔH_f, kcal/mol:	-91.57
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-2-(3-chloro-4-fluorophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C(=O)[C@H]3[C@@H]4C=C[C@]([C@H]3C2=O)(O4)C)C

DOS

IR

Vibrations