Geometry & MOs

Info

ID:	272829
PubChem CID:	103760630
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	2.89
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[(2-cyano-5-fluorophenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCC1CN(CCO1)CC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations