Geometry & MOs

Info

ID:	279419
PubChem CID:	103843886
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	293.235479
ΔH_f, kcal/mol:	-106.65
Dipole, Da:	3.66
IP(EA), eV:	-9.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(S1)CCCC2)CO

DOS

IR

Vibrations