Geometry & MOs

Info

ID:	165524
PubChem CID:	74561233
Reduced:	O2N7C30H35 (1)
Stoich.:	A2B7C30D35 (1)
Weight, g/mol:	456.251184
ΔH_f, kcal/mol:	78.61
Dipole, Da:	11.46
IP(EA), eV:	-8.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(1-benzyltetrazol-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methylidene]-6,8-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=CC=C6OC)C(=O)N=C2C(=C1)C

DOS

IR

Vibrations