Geometry & MOs

Info

ID:	141028
PubChem CID:	52805565
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	19.46
Dipole, Da:	5.88
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(2R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CN(CC2=CC=CC=C2OC)C3CC3)C)[N+](=O)[O-]

DOS

IR

Vibrations