Geometry & MOs

Info

ID:	431107
PubChem CID:	135171177
Reduced:	NC6H13 (2)
Stoich.:	AB6C13 (2)
Weight, g/mol:	255.95018
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	2.48
IP(EA), eV:	-8.41(2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-5-chloro-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC(C)N(CC)[C@H]1CCC[C@H](C1)N

DOS

IR

Vibrations