Geometry & MOs

Info

ID:	146978
PubChem CID:	53776899
Reduced:	NO7C30H41 (1)
Stoich.:	AB7C30D41 (1)
Weight, g/mol:	199.92397
ΔH_f, kcal/mol:	-303.16
Dipole, Da:	5.52
IP(EA), eV:	-9.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo(chloro)methyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C)OCCCCNC(=O)C=C

DOS

IR

Vibrations