Geometry & MOs

Info

ID:	419810
PubChem CID:	135109128
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	7.26
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O)C(=O)N

DOS

IR

Vibrations