Geometry & MOs

Info

ID:	375113
PubChem CID:	131472500
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	6.27
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2-methylpyrimidin-4-yl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=CC(=C2S1)CO)C(=O)O

DOS

IR

Vibrations