Geometry & MOs

Info

ID:	121983
PubChem CID:	50788701
Reduced:	S2O4N5C24H25 (1)
Stoich.:	A2B4C5D24E25 (1)
Weight, g/mol:	413.246713
ΔH_f, kcal/mol:	-50.78
Dipole, Da:	3.22
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(SC(=C4)C5=NOC(=N5)C)C

DOS

IR

Vibrations