Geometry & MOs

Info

ID:	13682
PubChem CID:	396875
Reduced:	FN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	337.143784
ΔH_f, kcal/mol:	-197.4
Dipole, Da:	7.87
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-[(4-fluorophenyl)carbamoyl]-3-morpholin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(N)N1CCOCC1)C(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations