Geometry & MOs

Info

ID:	254017
PubChem CID:	103122209
Reduced:	ON6C10H14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	72.23
Dipole, Da:	1.42
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COCCN=C(C1=C2C=NC=CN2N=C1)NN

DOS

IR

Vibrations