Geometry & MOs

Info

ID:	45989
PubChem CID:	10520076
Reduced:	SeO2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	4.53
IP(EA), eV:	-8.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC[C@@H](CC1[Se]C2=CC=CC=C2)C(=C)CO)O

DOS

IR

Vibrations