Geometry & MOs

Info

ID:	243623
PubChem CID:	99233454
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	1.27
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CCCN2C(=O)CNC(=O)C3=CC=C(C=C3)OC(C)C)C

DOS

IR

Vibrations