Geometry & MOs

Info

ID:	149500
PubChem CID:	53789173
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	263.01571
ΔH_f, kcal/mol:	-190.64
Dipole, Da:	0.88
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromopent-4-enoylamino)acetate

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC)C(=O)OC

DOS

IR

Vibrations