Geometry & MOs

Info

ID:	28420
PubChem CID:	827466
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	335.03823
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	4.58
IP(EA), eV:	-9.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S,3S)-3-iodo-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H](CCC1=O)C(C)(C)C)O

DOS

IR

Vibrations