Geometry & MOs

Info

ID:	56465
PubChem CID:	17435734
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	3.42
IP(EA), eV:	-8.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxy-3-(2-nitrophenoxy)propoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=C(O2)Br)N3CCCC3=O

DOS

IR

Vibrations