Geometry & MOs

Info

ID:	427525
PubChem CID:	135159593
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	472.15478
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	3.78
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(2-bromophenyl)-3-methyl-2-pent-1-en-2-yloct-2-enyl]-1-(1,3-thiazol-2-yl)ethanimine

Drug info:

PubChemData

Smile

CCC1CC(=NC=C1)C2=NCC(=C3N2CCC3)C(=O)OCC

DOS

IR

Vibrations