Geometry & MOs

Info

ID:	312522
PubChem CID:	126606233
Reduced:	ClO4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-201.58
Dipole, Da:	2.85
IP(EA), eV:	-10.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formamido-1,3,5-trimethylcyclohepta-2,4,6-triene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@@H](C2O1)CO)Cl)C

DOS

IR

Vibrations