Geometry & MOs

Info

ID:	284829
PubChem CID:	104073370
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	228.077789
ΔH_f, kcal/mol:	22.17
Dipole, Da:	3.02
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-1-cyclopropylethanol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC2=CC=C(O2)CN

DOS

IR

Vibrations