Geometry & MOs

Info

ID:	406782
PubChem CID:	135078602
Reduced:	ON2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784294
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-butylidenepropanedioate

Drug info:

PubChemData

Smile

CC(C)/C=[N+]\1/CCC(=O)N1

DOS

IR

Vibrations