Geometry & MOs

Info

ID:	141141
PubChem CID:	52825326
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	417.299142
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	3.8
IP(EA), eV:	-9.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[4-[butyl(methyl)amino]benzoyl]piperidin-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations