Geometry & MOs

Info

ID:	163365
PubChem CID:	57886867
Reduced:	F2O4N6H22C25 (1)
Stoich.:	A2B4C6D22E25 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	8.49
IP(EA), eV:	-9.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-2-(propan-2-yloxymethyl)benzene

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=C3C=NC(=NC3=NN2)OC4=C(C=C(C=C4)F)F)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations