Geometry & MOs

Info

ID:	193333
PubChem CID:	78377309
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	320.013474
ΔH_f, kcal/mol:	67.48
Dipole, Da:	2.0
IP(EA), eV:	-8.7(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropurin-6-one

Drug info:

PubChemData

Smile

CCCCC1C(C(NN1)NC2=CC=CC=C2)N3C=CN=C3

DOS

IR

Vibrations