Geometry & MOs

Info

ID:	433025
PubChem CID:	135173162
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	430.112442
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	0.79
IP(EA), eV:	-8.2(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-fluoro-N-methyl-2-[3-methylidene-5-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazol-4-yl]-1-pyrimidin-5-ylethenamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCOC2=C(C=C(C=C2)C)OC)OC

DOS

IR

Vibrations