Geometry & MOs

Info

ID:	390697
PubChem CID:	135000399
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	364.287849
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	0.65
IP(EA), eV:	-9.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(3,3-dimethylbutyl)phenyl]-4,4-dimethyl-N-(6-methylpyridin-2-yl)pentan-1-imine

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@@H](O1)C2=CC=CO2)C3=CC=CC=C3

DOS

IR

Vibrations