Geometry & MOs

Info

ID:	314600
PubChem CID:	126622416
Reduced:	ClNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	578.200171
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	2.73
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-yl]amino]pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@H](CCC(=O)O)N.Cl

DOS

IR

Vibrations