Geometry & MOs

Info

ID:	309938
PubChem CID:	126568507
Reduced:	BrO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	465.197631
ΔH_f, kcal/mol:	24.77
Dipole, Da:	0.85
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(1-cyclopropylpyrazol-3-yl)-5-fluoropyridin-3-yl]-N-[2-fluoro-4-[(3-methoxyazetidin-1-yl)methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(C=NC=C2)/C=C/C(=O)NC3=CC(=C(C=C3)Br)CO

DOS

IR

Vibrations