Geometry & MOs

Info

ID:	379527
PubChem CID:	134440341
Reduced:	OH16C25 (1)
Stoich.:	AB16C25 (1)
Weight, g/mol:	467.188129
ΔH_f, kcal/mol:	57.05
Dipole, Da:	1.7
IP(EA), eV:	-8.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5Z,7E,9Z)-9-amino-3-(2,4-difluorophenyl)-1-methyl-4H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=CC=CC=C3C4=CC=CC=C42)C5=C1C6=CC=CC=C6O5

DOS

IR

Vibrations