Geometry & MOs

Info

ID:	349991
PubChem CID:	127276864
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-122.99
Dipole, Da:	5.05
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CN2C(=O)C(NC2=O)(C)C3CC3

DOS

IR

Vibrations