Geometry & MOs

Info

ID:	279396
PubChem CID:	103843724
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-159.22
Dipole, Da:	4.55
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(C(=C1)Cl)OCO2)CO

DOS

IR

Vibrations