Geometry & MOs

Info

ID:	204045
PubChem CID:	79904859
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	3.29
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

C1COC2(CCOC2)CC1OC3=C(C=C(C=C3)CN)Br

DOS

IR

Vibrations