Geometry & MOs

Info

ID:	154105
PubChem CID:	56313493
Reduced:	FO3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	437.191483
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	8.98
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations