Geometry & MOs

Info

ID:	288703
PubChem CID:	104324044
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	0.23
Dipole, Da:	5.07
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC(=NC4=CC=CC=C43)N)O

DOS

IR

Vibrations