Geometry & MOs

Info

ID:	375674
PubChem CID:	134220747
Reduced:	ClOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	96.3
Dipole, Da:	3.54
IP(EA), eV:	-8.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-4-(3-methyl-6-oxoheptan-3-yl)oxybutan-2-yl]oxypropanal

Drug info:

PubChemData

Smile

CC(=O)C1=C(N(C2=C(C=CC(=C2C1=C)Cl)N3C4=CC=CC=C4N=N3)C)SC

DOS

IR

Vibrations