Geometry & MOs

Info

ID:	425697
PubChem CID:	135127423
Reduced:	OSN2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	349.12665
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	2.91
IP(EA), eV:	-8.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(iodomethyl)-2,10-dimethyl-1-azabicyclo[6.3.2]tridecane

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)C(C)(C)N1C2=CC=CC=C2SC3=CC=CC=C31)N

DOS

IR

Vibrations