Geometry & MOs

Info

ID:	122121
PubChem CID:	50795246
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	274.190595
ΔH_f, kcal/mol:	53.67
Dipole, Da:	3.64
IP(EA), eV:	-8.14(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-6-amine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)NCC3=CC=CC=C3OC)N4CCCC4

DOS

IR

Vibrations