Geometry & MOs

Info

ID:	39995
PubChem CID:	8143365
Reduced:	OSN4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	4.9
IP(EA), eV:	-8.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C(C)C

DOS

IR

Vibrations