Geometry & MOs

Info

ID:	37231
PubChem CID:	8018583
Reduced:	FNO3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	370.11301
ΔH_f, kcal/mol:	-84.42
Dipole, Da:	4.71
IP(EA), eV:	-10.39(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations