Geometry & MOs

Info

ID:	270490
PubChem CID:	103636838
Reduced:	FON4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	15.72
Dipole, Da:	8.78
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexan-3-yl-2-methoxy-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CNC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations