Geometry & MOs

Info

ID:	243652
PubChem CID:	99233651
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	407.203191
ΔH_f, kcal/mol:	-121.73
Dipole, Da:	8.02
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](C1)CNC(=O)OC(C)(C)C)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations