Geometry & MOs

Info

ID:	378442
PubChem CID:	134224523
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-158.11
Dipole, Da:	4.3
IP(EA), eV:	-9.67(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclohexyl-4-methylpentan-2-yl) formate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H]([C@H]([C@H](CN1)O)O)O

DOS

IR

Vibrations