Geometry & MOs

Info

ID:	342566
PubChem CID:	127265726
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	3.95
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dihydroxyphenyl)propan-2-yl]-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC1=C(C=C(C=C1)O)F

DOS

IR

Vibrations