Geometry & MOs

Info

ID:	47961
PubChem CID:	10536052
Reduced:	N2C5H12 (2)
Stoich.:	A2B5C12 (2)
Weight, g/mol:	200.123486
ΔH_f, kcal/mol:	-0.19
Dipole, Da:	2.2
IP(EA), eV:	-8.47(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-1,7,7-trimethyl-3-methylsulfanylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CCN1CCNCCNCCNCC1

DOS

IR

Vibrations