Geometry & MOs

Info

ID:	15035
PubChem CID:	427813
Reduced:	O3N4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	349.130065
ΔH_f, kcal/mol:	52.46
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.543864
Charge, e:	1

Chem-info

IUPAC name:

hydroxy-[4-[[4-[(1-methylpyridin-4-ylidene)amino]phenyl]carbamoyl]phenyl]-oxoazanium

Drug info:

PubChemData

Smile

CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)O)C=C1

DOS

IR

Vibrations