Geometry & MOs

Info

ID:	342431
PubChem CID:	127265586
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	338.079074
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	9.7
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNC(=O)NC2=CC=C(C=C2)N3CCNC3=O

DOS

IR

Vibrations