Geometry & MOs

Info

ID:	270653
PubChem CID:	103637469
Reduced:	ClN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	3.56
IP(EA), eV:	-9.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(3-hydroxyphenyl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations