Geometry & MOs

Info

ID:	304432
PubChem CID:	124594266
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	393.0688
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	3.95
IP(EA), eV:	-9.08(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopiperidin-1-yl]-[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCC(=O)N2CCC[C@H](C2)N

DOS

IR

Vibrations