Geometry & MOs

Info

ID:	350007
PubChem CID:	127276880
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	5.29
IP(EA), eV:	-8.71(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C(C)N2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations