Geometry & MOs

Info

ID:	183376
PubChem CID:	77013503
Reduced:	NF2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-157.01
Dipole, Da:	5.93
IP(EA), eV:	-10.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4,5-trimethylpyrazol-1-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations