Geometry & MOs

Info

ID:	441924
PubChem CID:	135246723
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	430.201634
ΔH_f, kcal/mol:	103.0
Dipole, Da:	5.29
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-[3-[(3Z,5E)-5-fluoro-7-methoxyhepta-3,5-dien-2-yl]pyridin-2-yl]oxypyrimidin-2-yl]-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(CCC1)/C=C\C(=C)OC2=NC=NC=C(C2)C3=CC=CC4=CC=NN43

DOS

IR

Vibrations