Geometry & MOs

Info

ID:	203127
PubChem CID:	79782680
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	2.66
Dipole, Da:	6.42
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methyl-4-nitroanilino)methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=NC=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations