Geometry & MOs

Info

ID:	166199
PubChem CID:	74649810
Reduced:	FO3N4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	403.307302
ΔH_f, kcal/mol:	8.01
Dipole, Da:	6.47
IP(EA), eV:	-9.54(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-(cyclohexylcarbamoylamino)butanoylamino]-1-phenylethyl]-diethylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=CC3=NC=NC(=O)C3C=C2[N+](=O)[O-])F

DOS

IR

Vibrations