Geometry & MOs

Info

ID:	209821
PubChem CID:	80726863
Reduced:	NO2S2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	219.148396
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	6.98
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCC2(CCCS2)C

DOS

IR

Vibrations