Geometry & MOs

Info

ID:	163240
PubChem CID:	57654996
Reduced:	KSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	5.51
IP(EA), eV:	-8.12(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]ethyl 2-methylbutanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)[O-].[K+]

DOS

IR

Vibrations