Geometry & MOs

Info

ID:	123130
PubChem CID:	50834734
Reduced:	FO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	406.144119
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	6.38
IP(EA), eV:	-8.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)carbamoyl]-7-(2-fluorophenyl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC(=CC3C4=CC=CC=C4F)C(=O)O

DOS

IR

Vibrations