Geometry & MOs

Info

ID:	141491
PubChem CID:	52882903
Reduced:	N3O3C21H34 (1)
Stoich.:	A3B3C21D34 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126507
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(2R)-1-benzylpiperidin-2-yl]methylamino]-2-oxoethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)NC[C@H]1CCCC[NH+]1CC2=CC=CC=C2

DOS

IR

Vibrations