Geometry & MOs

Info

ID:	415386
PubChem CID:	135088380
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	25.48
Dipole, Da:	4.32
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(azepan-1-yl)ethylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)C(C)NC2=NC=C(C=C2)C(=O)N(C)C

DOS

IR

Vibrations