Geometry & MOs

Info

ID:	210652
PubChem CID:	80834938
Reduced:	FN4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	3.07
IP(EA), eV:	-8.59(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(2-methylazepan-1-yl)-5-nitroaniline

Drug info:

PubChemData

Smile

CCCCCCNC1=NC(=NC=C1F)NCC

DOS

IR

Vibrations