Geometry & MOs

Info

ID:	24576
PubChem CID:	611207
Reduced:	N5H17C19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	315.148396
ΔH_f, kcal/mol:	124.97
Dipole, Da:	3.47
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4

DOS

IR

Vibrations