Geometry & MOs

Info

ID:	134517
PubChem CID:	51709940
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	4.56
IP(EA), eV:	-8.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[(4-aminophenyl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)N(C)C)OCC

DOS

IR

Vibrations