Geometry & MOs

Info

ID:	366493
PubChem CID:	127319990
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	394.191738
ΔH_f, kcal/mol:	73.11
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3CCN(CC3)C(=O)C4=C(C=CS4)C5CC5

DOS

IR

Vibrations