Geometry & MOs

Info

ID:	208524
PubChem CID:	80540310
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-197.23
Dipole, Da:	6.43
IP(EA), eV:	-10.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(1-methylidene-3-oxoisoindol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CCC(C)C(=O)O

DOS

IR

Vibrations