Geometry & MOs

Info

ID:	26058
PubChem CID:	637429
Reduced:	O7H20C21 (1)
Stoich.:	A7B20C21 (1)
Weight, g/mol:	126.000306
ΔH_f, kcal/mol:	-204.84
Dipole, Da:	4.22
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,3-dichlorobutane

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations