Geometry & MOs

Info

ID:	126585
PubChem CID:	50968971
Reduced:	ClO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	3.12
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[3-(2-ethylimidazol-1-yl)propanoyl]-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(N1)C=C(C=C2)Cl)C(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations