Geometry & MOs

Info

ID:	413148
PubChem CID:	135086092
Reduced:	ClO2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	444.23006
ΔH_f, kcal/mol:	-124.16
Dipole, Da:	1.87
IP(EA), eV:	-9.3(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,12-dimethyl-2,12-bis(phenylmethoxy)trideca-3,10-diyne-5,9-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCCCOCC3=CC=CC=C3)Cl

DOS

IR

Vibrations