Geometry & MOs

Info

ID:	194300
PubChem CID:	78512327
Reduced:	FN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	297.123917
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	3.32
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-nitro-2-(1-phenylbutyliminomethyl)phenolate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations