Geometry & MOs

Info

ID:	140792
PubChem CID:	52760575
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	5.98
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCCNC(=O)C2=C(ON=C2C)C)C

DOS

IR

Vibrations