Geometry & MOs

Info

ID:	185801
PubChem CID:	77349293
Reduced:	N5O7C25H25 (1)
Stoich.:	A5B7C25D25 (1)
Weight, g/mol:	245.102508
ΔH_f, kcal/mol:	-190.01
Dipole, Da:	10.99
IP(EA), eV:	-8.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(3,5-dimethylpyrazol-1-yl)-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC2=C(N1)N=CN(C2=O)C#CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations