Geometry & MOs

Info

ID:	261062
PubChem CID:	103215883
Reduced:	OSN2F3C9H13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	405.03564
ΔH_f, kcal/mol:	-172.16
Dipole, Da:	2.08
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

Drug info:

PubChemData

Smile

CNC(CC1=NC=CS1)COCC(F)(F)F

DOS

IR

Vibrations