Geometry & MOs

Info

ID:	36796
PubChem CID:	8012861
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	0.92
IP(EA), eV:	-8.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=CC2=O

DOS

IR

Vibrations