Geometry & MOs

Info

ID:	32922
PubChem CID:	7849485
Reduced:	N3O5H15C19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	6.73
IP(EA), eV:	-9.72(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations