Geometry & MOs

Info

ID:	132418
PubChem CID:	51360848
Reduced:	OSN7C22H33 (1)
Stoich.:	ABC7D22E33 (1)
Weight, g/mol:	445.259009
ΔH_f, kcal/mol:	42.77
Dipole, Da:	6.78
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1-butyltetrazol-5-yl)-phenylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)C(CCSC)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

DOS

IR

Vibrations