Geometry & MOs

Info

ID:	27739
PubChem CID:	823347
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-222.27
Dipole, Da:	5.21
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-benzyl-2,2-dimethyloxan-4-amine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations