Geometry & MOs

Info

ID:	429716
PubChem CID:	135169767
Reduced:	ON4H28C45 (1)
Stoich.:	AB4C28D45 (1)
Weight, g/mol:	292.093581
ΔH_f, kcal/mol:	211.48
Dipole, Da:	3.2
IP(EA), eV:	-8.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C6=CC7=CC=CC=C7C=C6C8=C5C9=C(C=C8)N=C(O9)C1=CC=CC=C1

DOS

IR

Vibrations