Geometry & MOs

Info

ID:	264746
PubChem CID:	103488149
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	4.86
IP(EA), eV:	-8.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethoxypropan-2-yloxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C2=NC(=CS2)CCC(=O)OCC)CC

DOS

IR

Vibrations