Geometry & MOs

Info

ID:	287825
PubChem CID:	104295796
Reduced:	OF2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	196.033586
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	2.4
IP(EA), eV:	-9.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluoro-5-methylphenyl)prop-2-ynoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)NC(C)CC(C)N

DOS

IR

Vibrations