Geometry & MOs

Info

ID:	49171
PubChem CID:	11528785
Reduced:	NO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	5.31
IP(EA), eV:	-10.0(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(prop-2-ynoxymethyl)pyrrolo[1,2-a]quinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C[C@@H](C(=O)O)N)C(=O)C(=O)O2

DOS

IR

Vibrations