Geometry & MOs

Info

ID:	218150
PubChem CID:	85088954
Reduced:	O3C13H13 (2)
Stoich.:	A3B13C13 (2)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	2.09
IP(EA), eV:	-9.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[(4-methylpiperazin-1-yl)methylcarbamoyl]-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(CC2(C(=C(C1(C2=O)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)CCO

DOS

IR

Vibrations