Geometry & MOs

Info

ID:	13683
PubChem CID:	396876
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-155.05
Dipole, Da:	5.71
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations