Geometry & MOs

Info

ID:	26447
PubChem CID:	648581
Reduced:	FON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	375.180758
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	1.61
IP(EA), eV:	-8.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2N=C1)O)CNC3=CC=C(C=C3)F

DOS

IR

Vibrations