Geometry & MOs

Info

ID:	429724
PubChem CID:	135169775
Reduced:	PF3N8H22C24 (1)
Stoich.:	AB3C8D22E24 (1)
Weight, g/mol:	291.098332
ΔH_f, kcal/mol:	36.45
Dipole, Da:	6.17
IP(EA), eV:	-8.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-isoquinolin-4-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CCC1=NC=C(C2=CC=CC=C21)N=C(/C(=C\N)/C(=C)NC3=CC(=C(N=C3)N4N=CC=N4)P)C(F)(F)F

DOS

IR

Vibrations