Geometry & MOs

Info

ID:	179390
PubChem CID:	76475876
Reduced:	N2O5C26H36 (1)
Stoich.:	A2B5C26D36 (1)
Weight, g/mol:	333.037955
ΔH_f, kcal/mol:	-219.73
Dipole, Da:	3.28
IP(EA), eV:	-9.22(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-oxo-6-propan-2-yl-2-(trifluoromethyl)-4aH-quinolin-3-yl] carbonochloridate

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C(CCCOC2=CC=CC=N2)O)CC3=CC=CC=C3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations