Geometry & MOs

Info

ID:	389251
PubChem CID:	134991834
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	752.450868
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	2.51
IP(EA), eV:	-9.5(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl-[2,6-di(propan-2-yl)phenyl]azanide;diethylazanide;titanium(4+)

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CC[C@H](C=C1)CCO

DOS

IR

Vibrations