Geometry & MOs

Info

ID:	429887
PubChem CID:	135169941
Reduced:	F4N5H9C12 (1)
Stoich.:	A4B5C9D12 (1)
Weight, g/mol:	279.098332
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	2.43
IP(EA), eV:	-9.8(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-(3H-isoindol-1-yl)-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C/C(=C(\C=N)/C1=CC(=C(N=C1)N2N=CC=N2)F)/C(F)(F)F

DOS

IR

Vibrations