Geometry & MOs

Info

ID:	423641
PubChem CID:	135119888
Reduced:	ClFON4C16H20 (1)
Stoich.:	ABCD4E16F20 (1)
Weight, g/mol:	329.160263
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	4.47
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[[3-(trifluoromethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations