Geometry & MOs

Info

ID:	205882
PubChem CID:	80171245
Reduced:	NC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	279.125073
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	0.55
IP(EA), eV:	-8.5(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCNC(CN1CCC(C1)(C)C)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations