Geometry & MOs

Info

ID:	292218
PubChem CID:	114504865
Reduced:	BrON4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	231.1987
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	4.07
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-(2,4,5-trimethylphenyl)piperidine

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NC2CCN(CC2C)C)Br

DOS

IR

Vibrations