Geometry & MOs

Info

ID:	434249
PubChem CID:	135174509
Reduced:	N3C8H17 (1)
Stoich.:	A3B8C17 (1)
Weight, g/mol:	417.202556
ΔH_f, kcal/mol:	31.59
Dipole, Da:	2.19
IP(EA), eV:	-7.98(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-(1H-indol-6-yl)-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

CC/C(=C/N(C(C)C)N)/N=C

DOS

IR

Vibrations