Geometry & MOs

Info

ID:	166504
PubChem CID:	74701368
Reduced:	FO2N7C28H30 (1)
Stoich.:	AB2C7D28E30 (1)
Weight, g/mol:	528.272313
ΔH_f, kcal/mol:	39.34
Dipole, Da:	7.52
IP(EA), eV:	-8.51(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methylidene]-6,8-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(C3=NN=NN3CC4CCCO4)N5CCN(CC5)C6=CC=C(C=C6)F)C(=O)N=C2C(=C1)C

DOS

IR

Vibrations