Geometry & MOs

Info

ID:	402530
PubChem CID:	135056297
Reduced:	ClC20H29 (1)
Stoich.:	AB20C29 (1)
Weight, g/mol:	181.9892
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	3.31
IP(EA), eV:	-8.48(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;cyclobutane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CCl)/C)/C

DOS

IR

Vibrations