Geometry & MOs

Info

ID:	158039
PubChem CID:	56459429
Reduced:	O2F3N5H16C18 (1)
Stoich.:	A2B3C5D16E18 (1)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	-156.66
Dipole, Da:	2.83
IP(EA), eV:	-9.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2-(9-oxoacridin-10-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CN3C=CC=C(C3=O)C(F)(F)F

DOS

IR

Vibrations