Geometry & MOs

Info

ID:	429884
PubChem CID:	135169938
Reduced:	ClF3O4N8H18C23 (1)
Stoich.:	AB3C4D8E18F23 (1)
Weight, g/mol:	295.129632
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	14.58
IP(EA), eV:	-9.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-[2-(ethylideneamino)-3-methylphenyl]-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=CC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(/C(=C\N)/C(=O)O)N)Cl)C(F)(F)F

DOS

IR

Vibrations