Geometry & MOs

Info

ID:	192752
PubChem CID:	78308019
Reduced:	SN5O5C27H41 (1)
Stoich.:	AB5C5D27E41 (1)
Weight, g/mol:	545.230601
ΔH_f, kcal/mol:	-136.09
Dipole, Da:	3.22
IP(EA), eV:	-8.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methylidene]-6,7-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

COC1=CC2C=C(C(=O)N=C2C=C1OC)CN(CCCN3CCOCC3)C(=S)NCCCN4CCOCC4

DOS

IR

Vibrations