Geometry & MOs

Info

ID:	449170
PubChem CID:	135296528
Reduced:	O5N6C30H30 (1)
Stoich.:	A5B6C30D30 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	11.47
IP(EA), eV:	-8.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(6-methoxypyridin-3-yl)-1-methylidene-3-oxoisoindol-5-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)OCCCCCN4CCN(CC4)C5=NC=C(C=C5)C=O

DOS

IR

Vibrations