Geometry & MOs

Info

ID:	128335
PubChem CID:	51040141
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	543.26257
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	5.16
IP(EA), eV:	-9.26(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(7-chloroquinolin-4-yl)-4-N-[4-(4-ethylpiperazin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-yl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@H]1CO)[C@@H](CCCCCCOCC2=CC=CC=C2)O

DOS

IR

Vibrations