Geometry & MOs

Info

ID:	434014
PubChem CID:	135174167
Reduced:	ON2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	389.125291
ΔH_f, kcal/mol:	-16.86
Dipole, Da:	2.99
IP(EA), eV:	-8.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[methoxy(phenoxy)phosphoryl]methoxy]but-3-enyl]purin-6-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC=CC(=C2)CNC3CCNCC3

DOS

IR

Vibrations