Geometry & MOs

Info

ID:	174925
PubChem CID:	75832796
Reduced:	N3O3C21H34 (1)
Stoich.:	A3B3C21D34 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-129.11
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986447
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[benzyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC[NH+](C)CC2=CC=CC=C2

DOS

IR

Vibrations