Geometry & MOs

Info

ID:	439222
PubChem CID:	135228989
Reduced:	PN2O6C25H33 (1)
Stoich.:	AB2C6D25E33 (1)
Weight, g/mol:	235.23
ΔH_f, kcal/mol:	-277.02
Dipole, Da:	8.6
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclohexylprop-1-en-2-yl)-4-ethylpiperidine

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1/C(=C\C=C)/CCO)CC(=O)NCCCCOP(=O)(O)OC)C2=CC=CC=C2

DOS

IR

Vibrations