Geometry & MOs

Info

ID:	12998
PubChem CID:	219878
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	71.54
Dipole, Da:	10.73
IP(EA), eV:	-9.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-6-methyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCNC1=C2C=NN(C2=NC(=N1)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations