Geometry & MOs

Info

ID:	172368
PubChem CID:	75500350
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	224.096106
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	3.65
IP(EA), eV:	-9.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-methylbenzamide

Drug info:

PubChemData

Smile

CCCC1CC(CCO1)C(=O)N(CC2CC2)C3=CN=CC=C3

DOS

IR

Vibrations