Geometry & MOs

Info

ID:	165239
PubChem CID:	74519792
Reduced:	N2O5C26H28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	294.181767
ΔH_f, kcal/mol:	-130.25
Dipole, Da:	3.59
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(butylamino)-2-oxoethyl]-methyl-[1-(3-nitrophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations