Geometry & MOs

Info

ID:

433884

PubChem CID:

135174027

Reduced:

O3N7C38H41 (1)

Stoich.:

A3B7C38D41 (1)

Weight, g/mol:

538.245741

ΔHf, kcal/mol:

45.14

Dipole, Da:

0.73

IP(EA), eV:

 -8.24(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(2R)-2-[[[3-[(2,4-dimethylphenyl)methoxy]propylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CN(C3)C(=C)CNCCC=O)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@H](C7)O)C

DOS

IR

Vibrations