Geometry & MOs

Info

ID:	433856
PubChem CID:	135173999
Reduced:	FSO2N8H21C23 (1)
Stoich.:	ABC2D8E21F23 (1)
Weight, g/mol:	166.076057
ΔH_f, kcal/mol:	5.78
Dipole, Da:	3.94
IP(EA), eV:	-8.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloroethoxy)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1COCC1N2C3=NC(=NC(=C3N(C2=O)C4=CC5=C(C=C4)NC=C5)N)NC6=C(C=C(C=C6)SN)F

DOS

IR

Vibrations