Geometry & MOs

Info

ID:	399428
PubChem CID:	135040216
Reduced:	NO5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	204.187801
ΔH_f, kcal/mol:	-272.08
Dipole, Da:	3.24
IP(EA), eV:	-9.94(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene

Drug info:

PubChemData

Smile

CCC(=O)[C@H]1CC[C@@H]([C@@H]([C@H]1NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations