Geometry & MOs

Info

ID:	420040
PubChem CID:	135110830
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	-138.06
Dipole, Da:	2.76
IP(EA), eV:	-9.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)F

DOS

IR

Vibrations