Geometry & MOs

Info

ID:	7143
PubChem CID:	71356
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	4.16
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)N

DOS

IR

Vibrations