Geometry & MOs

Info

ID:	164936
PubChem CID:	74474832
Reduced:	ON6C30H46 (1)
Stoich.:	AB6C30D46 (1)
Weight, g/mol:	464.289974
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	9.21
IP(EA), eV:	-9.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopentyl-[1-(1-cyclopentyltetrazol-5-yl)butyl]amino]methyl]-7-methoxy-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1C2CCCCC2)N(CCC3=CC=CC=C3C)CC4CC5CCCC(C5NC4=O)C

DOS

IR

Vibrations