Geometry & MOs

Info

ID:	383598
PubChem CID:	134975399
Reduced:	NO6C34H41 (1)
Stoich.:	AB6C34D41 (1)
Weight, g/mol:	230.080376
ΔH_f, kcal/mol:	-225.28
Dipole, Da:	1.96
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-N-pyridin-3-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O[C@@H](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations