Geometry & MOs

Info

ID:	314603
PubChem CID:	126622422
Reduced:	OF3N8H13C18 (1)
Stoich.:	AB3C8D13E18 (1)
Weight, g/mol:	477.152493
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	5.22
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(difluoromethyl)pyridin-2-yl]-N-(3-fluoropyridin-4-yl)-9-[(4-methoxyphenyl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)NC2=NC(=NC3=C2NC=N3)C4=NC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations