Geometry & MOs

Info

ID:	243630
PubChem CID:	99233495
Reduced:	ClN3O4C20H30 (1)
Stoich.:	AB3C4D20E30 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-200.82
Dipole, Da:	6.05
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=N1)C(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations