Geometry & MOs

Info

ID:	229681
PubChem CID:	87568418
Reduced:	NO2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	467.222035
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	7.26
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(Z)-3-(cyclopropylamino)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N'-hydroxyoctanediamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(=CC2=CC=C(C=C2)/C=C/C(=O)NO)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations