Geometry & MOs

Info

ID:	159444
PubChem CID:	57280199
Reduced:	ClON2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	4.65
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[(3-nitrophenyl)methyl]-4-N-[(1R)-1-phenylethyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)CCCCC(=O)Cl

DOS

IR

Vibrations