Geometry & MOs

Info

ID:	401295
PubChem CID:	135050834
Reduced:	ClION2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	8.02
Dipole, Da:	6.4
IP(EA), eV:	-8.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,1-benzoxazol-4-yl)-N-[4-(dimethylamino)phenyl]methanimine oxide

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Cl.[I-]

DOS

IR

Vibrations