Geometry & MOs

Info

ID:	311471
PubChem CID:	126592937
Reduced:	ClFN4O4C29H36 (1)
Stoich.:	ABC4D4E29F36 (1)
Weight, g/mol:	153.15175
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	3.48
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-6-methylideneoctan-1-imine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NC(=O)C(C)C)Cl)N=CC(C)C(C)[C@H]2CC([C@H](O2)COC(=O)C3=CC=CC=C3)(C(=C)C)F

DOS

IR

Vibrations