Geometry & MOs

Info

ID:	350006
PubChem CID:	127276879
Reduced:	ON2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	3.78
IP(EA), eV:	-8.77(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-oxo-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations