Geometry & MOs

Info

ID:	419188
PubChem CID:	135107689
Reduced:	FO3N5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	-26.75
Dipole, Da:	5.32
IP(EA), eV:	-9.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=NON=C1OCCNC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations