Geometry & MOs

Info

ID:	13680
PubChem CID:	396870
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	337.119319
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	8.8
IP(EA), eV:	-8.52(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-[(4-chlorophenyl)carbamoyl]-3-pyrrolidin-1-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(N)N1CCCC1)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations