Geometry & MOs

Info

ID:	279566
PubChem CID:	103844353
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	288.128549
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	1.59
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-difluoro-4-nitroanilino)methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC2=CC=CC=C2C=C1)CO

DOS

IR

Vibrations