Geometry & MOs

Info

ID:	232408
PubChem CID:	87576138
Reduced:	O4C11H26 (1)
Stoich.:	A4B11C26 (1)
Weight, g/mol:	358.130887
ΔH_f, kcal/mol:	-222.42
Dipole, Da:	4.71
IP(EA), eV:	-9.96(1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-4-chloro-5-(hydroxymethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-4,5,6-trimethylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCOCC(C)O.CCOCC(C)O

DOS

IR

Vibrations