Geometry & MOs

Info

ID:	421247
PubChem CID:	135115645
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-209.2
Dipole, Da:	5.12
IP(EA), eV:	-9.03(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CCC(=O)O)O

DOS

IR

Vibrations