Geometry & MOs

Info

ID:	404738
PubChem CID:	135070251
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	4.2
IP(EA), eV:	-10.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(cycloheptanecarbonyl)butanedioate

Drug info:

PubChemData

Smile

C1C2CC(C1C=O)[C@H]3[C@@H]2C(=O)OC3=O

DOS

IR

Vibrations