Geometry & MOs

Info

ID:	205708
PubChem CID:	80138485
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	185.062283
ΔH_f, kcal/mol:	8.86
Dipole, Da:	1.99
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-6-methoxypyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=NC=NC(=C2N)OC)C

DOS

IR

Vibrations