Geometry & MOs

Info

ID:	426127
PubChem CID:	135140833
Reduced:	BrOH21C28 (1)
Stoich.:	ABC21D28 (1)
Weight, g/mol:	267.085521
ΔH_f, kcal/mol:	70.1
Dipole, Da:	2.76
IP(EA), eV:	-9.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-nitro-6-(oxetan-2-ylmethylamino)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)Br)/C4=CC=CC=C4

DOS

IR

Vibrations