Geometry & MOs

Info

ID:	419932
PubChem CID:	135109825
Reduced:	FO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	4.78
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(4-methylphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CN(CC1=NOC=C1)CC2=CC(=O)C3=C(N2)C(=CC=C3)F

DOS

IR

Vibrations