Geometry & MOs

Info

ID:	279375
PubChem CID:	103843515
Reduced:	ClFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	5.69
IP(EA), eV:	-9.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C1=C(C=CC=C1Cl)F)CO

DOS

IR

Vibrations