Geometry & MOs

Info

ID:	336837
PubChem CID:	127255844
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	222.055304
ΔH_f, kcal/mol:	-146.2
Dipole, Da:	3.01
IP(EA), eV:	-9.6(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=CC=CC=C1CO

DOS

IR

Vibrations