Geometry & MOs

Info

ID:	323927
PubChem CID:	126676629
Reduced:	Cl2O2N3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	1.34
Dipole, Da:	1.82
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(hydroxymethyl)phenyl]-3-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)CCC=O

DOS

IR

Vibrations