Geometry & MOs

Info

ID:	322374
PubChem CID:	126669945
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	2.95
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[1-(1-phenylethyl)azetidin-3-yl]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(C(=NN1)C(=O)NC2=CC=C(C=C2)CCCN[C@@H]3CCOC3)Cl

DOS

IR

Vibrations