Geometry & MOs

Info

ID:	403396
PubChem CID:	135060046
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	224.0007
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	2.73
IP(EA), eV:	-7.97(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4R)-3-(1-chloro-2-methoxyethylidene)-4-(chloromethyl)oxolan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations