Geometry & MOs

Info

ID:	190704
PubChem CID:	78044604
Reduced:	BN2O4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-221.08
Dipole, Da:	7.94
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-phenylmethoxypurin-9-yl)-3-ethoxypropan-2-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CC=N3)C(=C2)OC(C)C4CC(=O)NC4

DOS

IR

Vibrations