Geometry & MOs

Info

ID:	173327
PubChem CID:	75623225
Reduced:	O2F3N5C18H22 (1)
Stoich.:	A2B3C5D18E22 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-205.68
Dipole, Da:	2.72
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C2NN=C(N2C3CCCCC3C1=O)CN4C=C(C=CC4=O)C(F)(F)F

DOS

IR

Vibrations