Geometry & MOs

Info

ID:	243673
PubChem CID:	99233811
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-229.86
Dipole, Da:	5.03
IP(EA), eV:	-8.24(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@@H](C1)CNC(=O)OC(C)(C)C)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations