Geometry & MOs

Info

ID:	232817
PubChem CID:	87577119
Reduced:	NPO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	360.146537
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	1.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758882
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4,5,6-trimethylpyridin-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C(C2=CC=CC=C2)[P+](=O)O)O

DOS

IR

Vibrations