Geometry & MOs

Info

ID:	432804
PubChem CID:	135172941
Reduced:	F2N6O8C49H68 (1)
Stoich.:	A2B6C8D49E68 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-441.1
Dipole, Da:	6.95
IP(EA), eV:	-8.65(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[9-(oxan-2-yl)purin-6-yl]amino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCCN([C@@H](C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CC(C)(CC(=O)O)C(C)(C)CC=C

DOS

IR

Vibrations