Geometry & MOs

Info

ID:	414153
PubChem CID:	135087108
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	3.94
IP(EA), eV:	-8.09(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-(2,3,4-trimethoxyphenyl)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2C3=C(CCN2)C4=CC=CC=C4N3

DOS

IR

Vibrations