Geometry & MOs

Info

ID:	122119
PubChem CID:	50795177
Reduced:	N7C19H25 (1)
Stoich.:	A7B19C25 (1)
Weight, g/mol:	358.190595
ΔH_f, kcal/mol:	84.61
Dipole, Da:	2.11
IP(EA), eV:	-8.25(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-benzyl-1-methyl-4-N-[(2-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C3C=NN(C3=NC(=N2)N4CCN(CC4)C)C)C

DOS

IR

Vibrations