Geometry & MOs

Info

ID:	215967
PubChem CID:	85085518
Reduced:	O2N4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	86.58
Dipole, Da:	5.06
IP(EA), eV:	-7.96(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyl-1,4-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C(N2)N=O)N=O

DOS

IR

Vibrations