Geometry & MOs

Info

ID:	446893
PubChem CID:	135278495
Reduced:	FN6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	519.219429
ΔH_f, kcal/mol:	49.12
Dipole, Da:	10.3
IP(EA), eV:	-9.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-cyano-3-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N'-methyl-3-(methylideneamino)prop-2-enimidamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1CNCC2=C3C(=NC(=N2)F)N=CN3)C

DOS

IR

Vibrations