Geometry & MOs

Info

ID:	80533
PubChem CID:	49834999
Reduced:	SO4N6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	4.83
Dipole, Da:	6.05
IP(EA), eV:	-8.87(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-5-methyl-4-(3-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine

Drug info:

PubChemData

Smile

CN(CCC(=O)NCCCCCCO)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations