Geometry & MOs

Info

ID:	309993
PubChem CID:	126572542
Reduced:	BrO2F3N3C17H19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	316.04226
ΔH_f, kcal/mol:	-219.82
Dipole, Da:	4.46
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-nitro-N-(1-propan-2-yloxypropan-2-yl)aniline

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C2=NC3=C(N2CCOC(F)(F)F)C=C(C=C3)Br

DOS

IR

Vibrations