Geometry & MOs

Info

ID:	68697
PubChem CID:	46508914
Reduced:	N2O3H16C20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	464.194737
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	1.71
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations