Geometry & MOs

Info

ID:	294928
PubChem CID:	117505846
Reduced:	FN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-161.69
Dipole, Da:	11.44
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)OC)OC)C2=CC(=NN2C)C(=O)O)F

DOS

IR

Vibrations