Geometry & MOs

Info

ID:	181234
PubChem CID:	76719063
Reduced:	O5N6C28H33 (1)
Stoich.:	A5B6C28D33 (1)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755541
Charge, e:	0

Chem-info

IUPAC name:

5-(3-benzylpiperazin-1-yl)-2-(difluoromethoxy)-8-methoxyquinoline

Drug info:

PubChemData

Smile

C1CC(C1)N2C(=O)CC3C(=[N+](C(=O)N(C3=O)CCCCC4=NOC(=N4)C5=CC=CC=N5)CCCC6CC6)C2=O

DOS

IR

Vibrations