Geometry & MOs

Info

ID:	324963
PubChem CID:	126678955
Reduced:	ON4H7C9 (2)
Stoich.:	AB4C7D9 (2)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	118.32
Dipole, Da:	5.48
IP(EA), eV:	-9.06(-1.24)
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)methanol

Drug info:

PubChemData

Smile

COC1=NC=C(C=N1)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)C#N

DOS

IR

Vibrations