Geometry & MOs

Info

ID:	153772
PubChem CID:	56313083
Reduced:	FN4O4H25C26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	482.186652
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	6.98
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations