Geometry & MOs

Info

ID:	150408
PubChem CID:	53790098
Reduced:	Cl3N5C15H20 (1)
Stoich.:	A3B5C15D20 (1)
Weight, g/mol:	164.047344
ΔH_f, kcal/mol:	20.6
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-but-3-en-2-ylidene-4-methylideneoxolane-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(N(C(=N1)C)CC2=NC=CC(=C2Cl)N(C)CCCl)N)Cl

DOS

IR

Vibrations