Geometry & MOs

Info

ID:	398172
PubChem CID:	135032143
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	3.05
IP(EA), eV:	-10.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(9H-xanthen-9-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@@H](N1)CCC=C

DOS

IR

Vibrations