Geometry & MOs

Info

ID:	324494
PubChem CID:	126677760
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	7.85
Dipole, Da:	0.77
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2,6-bis(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]-(6-methoxypyridin-2-yl)methyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CC2=C(N=C(C=C2)N)N

DOS

IR

Vibrations