Geometry & MOs

Info

ID:	145335
PubChem CID:	53502543
Reduced:	O2N5C14H25 (1)
Stoich.:	A2B5C14D25 (1)
Weight, g/mol:	326.165523
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	5.41
IP(EA), eV:	-8.9(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)NCC(CN2CCCCC2)O)C

DOS

IR

Vibrations