Geometry & MOs

Info

ID:	225678
PubChem CID:	87225351
Reduced:	BrO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	265.144471
ΔH_f, kcal/mol:	-120.18
Dipole, Da:	4.53
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

COCCOCOC1=C(C(=CC=C1)Br)C=O

DOS

IR

Vibrations