Geometry & MOs

Info

ID:	339289
PubChem CID:	127261123
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	299.090606
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	4.09
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(1-amino-2-quinolin-8-yloxyethylidene)amino] prop-2-ynyl carbonate

Drug info:

PubChemData

Smile

C=CCOC(=O)O/N=C(/COC1=CC=CC2=C1N=CC=C2)\N

DOS

IR

Vibrations