Geometry & MOs

Info

ID:	314597
PubChem CID:	126622395
Reduced:	SN2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	534.173956
ΔH_f, kcal/mol:	57.69
Dipole, Da:	3.97
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[6-(difluoromethyl)pyridin-2-yl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-5-fluoropyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CSC1=CC2=NC=CN2C=C1

DOS

IR

Vibrations