Geometry & MOs

Info

ID:	446134
PubChem CID:	135272603
Reduced:	ON2C9H10 (3)
Stoich.:	AB2C9D10 (3)
Weight, g/mol:	460.233522
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	4.44
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(dimethylamino)ethyl]-2-methyl-1-(5-methyl-1H-indazol-4-yl)-8-(1-prop-2-enoylazetidin-3-yl)purin-6-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1C3=CC(=CC4=CC=CC=C43)O)N(C(=N2)C5CN(C5)C(=O)C=C)CCCN(C)C

DOS

IR

Vibrations