Geometry & MOs

Info

ID:	299881
PubChem CID:	117826081
Reduced:	ClON7C28H32 (1)
Stoich.:	ABC7D28E32 (1)
Weight, g/mol:	636.253501
ΔH_f, kcal/mol:	45.68
Dipole, Da:	8.01
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(4-chlorophenyl)-[4-[[4-(6-piperidin-1-ylpyridin-2-yl)piperazin-1-yl]methyl]phenyl]methyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)CCCCCNC3=C4C=CC(=CC4=NC=C3)Cl)N5CCOCC5

DOS

IR

Vibrations