Geometry & MOs

Info

ID:	154082
PubChem CID:	56313469
Reduced:	FO2N4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	467.222035
ΔH_f, kcal/mol:	14.2
Dipole, Da:	7.13
IP(EA), eV:	-9.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CN2C=CN=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations