Geometry & MOs

Info

ID:	165496
PubChem CID:	74558763
Reduced:	FNSO5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	278.186852
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	22.75
IP(EA), eV:	-7.54(-5.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-butan-2-yl-4-[(4-nitrophenyl)methyl]piperazin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(=C(C(=O)N2CCCCCC(=O)[O-])[O-])C(=O)C3=CC=CS3)F

DOS

IR

Vibrations