Geometry & MOs

Info

ID:	325883
PubChem CID:	126685418
Reduced:	ClNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	5.36
IP(EA), eV:	-9.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethyl-5-propan-2-yloxyphenyl)piperidine

Drug info:

PubChemData

Smile

COC1CCC(CC1)(C2=CC=C(C=C2)Cl)[C@@H](C(=O)O)N

DOS

IR

Vibrations