Geometry & MOs

Info

ID:	296414
PubChem CID:	117573184
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	197.121592
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	3.94
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoroanilino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CNC1=CC=CC(=C1)C(=O)OC)CO

DOS

IR

Vibrations