Geometry & MOs

Info

ID:	444259
PubChem CID:	135261880
Reduced:	O4N5C47H51 (1)
Stoich.:	A4B5C47D51 (1)
Weight, g/mol:	323.093773
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	4.62
IP(EA), eV:	-7.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-N-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC=C(C=C7)C8=CC(=O)N(C8)C9CCC(=O)NC9=O

DOS

IR

Vibrations