Geometry & MOs

Info

ID:	421112
PubChem CID:	135115394
Reduced:	ClON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	12.43
Dipole, Da:	6.35
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[2-(4-propoxyphenoxy)ethyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)N3C[C@H]([C@H](C3)O)CC4=NNC(=C4)C)Cl

DOS

IR

Vibrations