Geometry & MOs

Info

ID:	260923
PubChem CID:	103209579
Reduced:	ClION3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	404.01524
ΔH_f, kcal/mol:	23.66
Dipole, Da:	4.98
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1)C2CN(C2)C(=O)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations