Geometry & MOs

Info

ID:	270227
PubChem CID:	103635510
Reduced:	ClON5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	41.27
Dipole, Da:	3.7
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNCCC2=NOC(=N2)C)Cl)C

DOS

IR

Vibrations