Geometry & MOs

Info

ID:	223414
PubChem CID:	85335002
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	333.110486
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	1.44
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(6-amino-7H-purin-2-yl)-3-phenylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C1(CO1)C2=C(C=C(C=C2)F)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations