Geometry & MOs

Info

ID:	442991
PubChem CID:	135257303
Reduced:	ClON6C24H25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	85.79
Dipole, Da:	5.16
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-6-[(3R)-2-methyl-3-tricyclo[2.2.1.02,6]heptanyl]hex-3-en-1-imine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N4C3=CC=N4)C5=CC=CC(=C5Cl)C#N)C)CO1)C=N

DOS

IR

Vibrations