Geometry & MOs

Info

ID:	418797
PubChem CID:	135106822
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-172.06
Dipole, Da:	5.6
IP(EA), eV:	-9.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-methoxy-7-(3-phenoxypropyl)-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations