Geometry & MOs

Info

ID:	184557
PubChem CID:	77175148
Reduced:	N2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	15.38
Dipole, Da:	2.41
IP(EA), eV:	-8.98(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrrolo[1,2-a][1,3,5]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C.C1CNNC1

DOS

IR

Vibrations