Geometry & MOs

Info

ID:	128819
PubChem CID:	51059569
Reduced:	ClN4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	479.082801
ΔH_f, kcal/mol:	113.67
Dipole, Da:	2.53
IP(EA), eV:	-8.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,9-dimethoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=N/C(=C/3\CC(NN3)C4=CC=C(C=C4)Cl)/N=C2C=C1

DOS

IR

Vibrations