Geometry & MOs

Info

ID:	154335
PubChem CID:	56313751
Reduced:	FN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	437.191483
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	1.77
IP(EA), eV:	-9.23(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations