Geometry & MOs

Info

ID:	216393
PubChem CID:	85086156
Reduced:	ClO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	3.83
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=O)OC(=C1)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations