Geometry & MOs

Info

ID:	263228
PubChem CID:	103347472
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	80.04
Dipole, Da:	4.25
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxypyridin-2-yl)methyl]-2,4-dimethyl-5-nitroaniline

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CNC2=CC=CC=C2N3C=CN=N3

DOS

IR

Vibrations