Geometry & MOs

Info

ID:	27603
PubChem CID:	822502
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-120.35
Dipole, Da:	4.56
IP(EA), eV:	-9.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3,4,6-triethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)Cl

DOS

IR

Vibrations