Geometry & MOs

Info

ID:	317355
PubChem CID:	126636702
Reduced:	NSC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	406.114042
ΔH_f, kcal/mol:	42.08
Dipole, Da:	2.51
IP(EA), eV:	-7.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-1-(methylamino)-5-oxopenta-1,3-dien-3-yl]-2-phenoxy-5-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CS1)C2=CC=CNCC2

DOS

IR

Vibrations