Geometry & MOs

Info

ID:	30246
PubChem CID:	841034
Reduced:	FNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	178.049075
ΔH_f, kcal/mol:	-146.43
Dipole, Da:	3.27
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-nitropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations