Geometry & MOs

Info

ID:	30494
PubChem CID:	841413
Reduced:	O4N5C11H11 (1)
Stoich.:	A4B5C11D11 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	4.5
IP(EA), eV:	-10.19(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations