Geometry & MOs

Info

ID:	232694
PubChem CID:	87576736
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	119.013791
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	5.47
IP(EA), eV:	-9.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminobut-2-enoyl chloride

Drug info:

PubChemData

Smile

CCC=C(C=CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations