Geometry & MOs

Info

ID:	243706
PubChem CID:	99234159
Reduced:	BrN2O4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-185.68
Dipole, Da:	5.85
IP(EA), eV:	-8.92(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-(3-acetylphenoxy)acetyl]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)Br

DOS

IR

Vibrations