Geometry & MOs

Info

ID:	337890
PubChem CID:	127258513
Reduced:	NOC10H17 (2)
Stoich.:	ABC10D17 (2)
Weight, g/mol:	402.019242
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	3.8
IP(EA), eV:	-8.51(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-5-(2,4-dichlorophenoxy)phenoxy]ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)NNOC1=C(C=C(C=C1)CC(C)(C)C)CC(C)(C)C

DOS

IR

Vibrations