Geometry & MOs

Info

ID:	166511
PubChem CID:	74702258
Reduced:	ON6C27H40 (1)
Stoich.:	AB6C27D40 (1)
Weight, g/mol:	476.253589
ΔH_f, kcal/mol:	0.88
Dipole, Da:	4.33
IP(EA), eV:	-9.0(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(1-cyclopentyltetrazol-5-yl)-(6-ethyl-2-oxoquinolin-3-ylidene)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(C2CC3CC(CC(C3NC2=O)C)C)C4=NN=NN4C5CCCC5

DOS

IR

Vibrations