Geometry & MOs

Info

ID:	165850
PubChem CID:	74604818
Reduced:	NO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	368.161031
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	5.02
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl-methyl-[1-(3-nitrophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C(=O)C)OC(=O)C1=C2CCCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

DOS

IR

Vibrations