Geometry & MOs

Info

ID:	46663
PubChem CID:	10526099
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	8.09
IP(EA), eV:	-8.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)C6=C5C=CN6)OC)OC

DOS

IR

Vibrations