Geometry & MOs

Info

ID:	446111
PubChem CID:	135272439
Reduced:	O2N7H19C20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	369.123718
ΔH_f, kcal/mol:	62.58
Dipole, Da:	7.01
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-hydroxyphenyl)-2-methyl-9-(1-prop-2-enoylazetidin-3-yl)purin-6-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)N3C(=NC4=C(C3=O)N=CN4C5CN(C5)C(=O)C=C)C

DOS

IR

Vibrations