Geometry & MOs

Info

ID:	286875
PubChem CID:	104223325
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	21.89
Dipole, Da:	3.73
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(ethylaminomethyl)pyrimidin-2-yl]oxyphenyl]methanol

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(N=C1)OC2=CC=C(C=C2)SC

DOS

IR

Vibrations