Geometry & MOs

Info

ID:	243705
PubChem CID:	99234106
Reduced:	NOC5H8 (4)
Stoich.:	ABC5D8 (4)
Weight, g/mol:	440.13107
ΔH_f, kcal/mol:	-181.57
Dipole, Da:	5.85
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2S)-2-(4-bromophenoxy)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC(=N1)C(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations