Geometry & MOs

Info

ID:	36589
PubChem CID:	8009247
Reduced:	ClFNO4H13C16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	308.099729
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	3.93
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations