Geometry & MOs

Info

ID:	220262
PubChem CID:	85177180
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	238.076057
ΔH_f, kcal/mol:	-30.59
Dipole, Da:	0.72
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 3-chloro-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)N

DOS

IR

Vibrations