Geometry & MOs

Info

ID:	185273
PubChem CID:	77279715
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	489.193153
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	5.02
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-aminoquinolin-7-yl)methyl]-4-[(7-chloroisoquinolin-3-yl)methyl]-3-(2-methoxyethyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2CC(NN2)C3=CC=CC=C3)C(=O)OC4=CN=CC=C4

DOS

IR

Vibrations