Geometry & MOs

Info

ID:	207647
PubChem CID:	80433607
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	306.099587
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	4.86
IP(EA), eV:	-9.64(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-(2-methylpropyl)-1-(7H-purin-6-yl)pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=C1CO)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations