Geometry & MOs

Info

ID:	211017
PubChem CID:	80883810
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	2.98
IP(EA), eV:	-9.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(2-methoxyphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C)OC1=NC(=NC(=N1)OC)N

DOS

IR

Vibrations