Geometry & MOs

Info

ID:	27580
PubChem CID:	822291
Reduced:	N5C19H27 (1)
Stoich.:	A5B19C27 (1)
Weight, g/mol:	196.074896
ΔH_f, kcal/mol:	68.93
Dipole, Da:	7.21
IP(EA), eV:	-9.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenylpurine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C2=NN=NN2C3CCCC3)N4CCCCC4

DOS

IR

Vibrations