Geometry & MOs

Info

ID:	391048
PubChem CID:	135002483
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	1.78
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-ethoxy-4-(4-nitrophenyl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-3-methylaniline

Drug info:

PubChemData

Smile

C1COCCN1C2=C(N=C(O2)C(C3=COC=C3)O)CC4=CC=CC=C4

DOS

IR

Vibrations