Geometry & MOs

Info

ID:	288953
PubChem CID:	104328914
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	283.100857
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	6.06
IP(EA), eV:	-9.28(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N2CCC(C2)C(C)N

DOS

IR

Vibrations