Geometry & MOs

Info

ID:	430973
PubChem CID:	135171043
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	332.165541
ΔH_f, kcal/mol:	18.37
Dipole, Da:	5.56
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3E)-4-chloro-3-methylpenta-1,3-dien-2-yl]piperidin-4-yl]oxy-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)CNCC4=C(C=NC=C4)C

DOS

IR

Vibrations