Geometry & MOs

Info

ID:	206703
PubChem CID:	80287171
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	254.143056
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	5.14
IP(EA), eV:	-9.35(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-3-methoxypropyl)-2-fluoro-N,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCCC2CN)F

DOS

IR

Vibrations