Geometry & MOs

Info

ID:	29061
PubChem CID:	831376
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	6.6
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O

DOS

IR

Vibrations