Geometry & MOs

Info

ID:	279360
PubChem CID:	103843407
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	3.83
IP(EA), eV:	-9.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]heptanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CCC1=NC(=NO1)C)CO

DOS

IR

Vibrations