Geometry & MOs

Info

ID:	444834
PubChem CID:	135263677
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	317.175595
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	7.56
IP(EA), eV:	-10.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 1-(2H-pyridin-1-yl)ethyl phosphate

Drug info:

PubChemData

Smile

CC[C@H]1CC[C@@]2(C=C(C(=O)C([C@H]2O1)(C)C)C#N)C

DOS

IR

Vibrations