Geometry & MOs

Info

ID:	383702
PubChem CID:	134975575
Reduced:	LiNC7H10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	242.22458
ΔH_f, kcal/mol:	13.43
Dipole, Da:	8.55
IP(EA), eV:	-7.64(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-tert-butyl-5-hydroxy-2,2,6,6-tetramethylheptan-3-one

Drug info:

PubChemData

Smile

[Li+].C1CCC(=C=[N-])CC1

DOS

IR

Vibrations