Geometry & MOs

Info

ID:	415892
PubChem CID:	135088894
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	331.155927
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	1.92
IP(EA), eV:	-8.2(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2CC3=C(C=CC(=C3)OC)OC2

DOS

IR

Vibrations