Geometry & MOs

Info

ID:	203976
PubChem CID:	79895432
Reduced:	BrNOSC16H22 (1)
Stoich.:	ABCDE16F22 (1)
Weight, g/mol:	267.140533
ΔH_f, kcal/mol:	-36.68
Dipole, Da:	2.96
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

Drug info:

PubChemData

Smile

C1COC2(CCSCC2)CC1NCC3=CC=CC=C3Br

DOS

IR

Vibrations