Geometry & MOs

Info

ID:	435187
PubChem CID:	135183631
Reduced:	ClO3N5C41H42 (1)
Stoich.:	AB3C5D41E42 (1)
Weight, g/mol:	243.1987
ΔH_f, kcal/mol:	14.32
Dipole, Da:	3.12
IP(EA), eV:	-8.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethylphenyl)prop-1-en-2-yl]-1-methylpiperidine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CC5CCC(C4)N5)COC6=C(C=C(C(=C6)OCC7=CC(=CN=C7)C#N)CN8CCCCC8)Cl

DOS

IR

Vibrations