Geometry & MOs

Info

ID:	374301
PubChem CID:	131326363
Reduced:	NCl2H5O5C8 (1)
Stoich.:	AB2C5D5E8 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-121.95
Dipole, Da:	4.17
IP(EA), eV:	-10.82(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propan-2-yl-1,2-oxazol-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(C(=O)O)O)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations