Geometry & MOs

Info

ID:	171783
PubChem CID:	75427265
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	289.072591
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	4.28
IP(EA), eV:	-8.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methoxy-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=CC(=NN2)NC(=O)C3=CNC(=CC3=O)C)C

DOS

IR

Vibrations