Geometry & MOs

Info

ID:	159174
PubChem CID:	57264322
Reduced:	NO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	78.04695
ΔH_f, kcal/mol:	-193.28
Dipole, Da:	4.32
IP(EA), eV:	-10.16(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(112C)cyclohexatriene

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H](CC(=O)O)N

DOS

IR

Vibrations