Geometry & MOs

Info

ID:	291617
PubChem CID:	113449614
Reduced:	FSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	4.31
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-nitro-N-pentan-3-ylaniline

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)CS(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations