Geometry & MOs

Info

ID:	299910
PubChem CID:	117930785
Reduced:	IN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	216.07212
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	5.85
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylpyrimidin-5-yl)benzenethiol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)OC2=C(C=C(C=C2)C(=O)N3CCNCC3)I

DOS

IR

Vibrations