Geometry & MOs

Info

ID:	217540
PubChem CID:	85087968
Reduced:	N3O3F5C14H20 (1)
Stoich.:	A3B3C5D14E20 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-390.59
Dipole, Da:	1.07
IP(EA), eV:	-9.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5H-[1,2,4]triazolo[4,3-a]quinolin-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)C(C(F)(F)F)(F)F)N

DOS

IR

Vibrations