Geometry & MOs

Info

ID:	163552
PubChem CID:	58034226
Reduced:	NCl2O7H21C24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-228.67
Dipole, Da:	10.77
IP(EA), eV:	-9.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-indolizin-2-ylpropanoate

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@@H]1[C@@]([C@@H](C2)OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)C(=O)OC4C5=CC=CC=C5C(=O)O4

DOS

IR

Vibrations