Geometry & MOs

Info

ID:	446424
PubChem CID:	135274858
Reduced:	O10C21H34 (1)
Stoich.:	A10B21C34 (1)
Weight, g/mol:	322.122989
ΔH_f, kcal/mol:	-465.52
Dipole, Da:	5.5
IP(EA), eV:	-9.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1Z,3E)-4-fluoro-1-(4-phenoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)penta-1,3-dienyl]methanimine

Drug info:

PubChemData

Smile

C/C(=C/C(=O)O)/C=C/[C@@]1(C(C[C@@H](CC1(C)O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O

DOS

IR

Vibrations