Geometry & MOs

Info

ID:	159244
PubChem CID:	57266590
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	6.76
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclohepta-1,3,5-trien-1-yl-5-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)N=C[C@@H]2[C@@H]3CC[C@H]([C@H]2CCC4=CC=C(C=C4)C(=O)O)O3

DOS

IR

Vibrations