Geometry & MOs

Info

ID:	269848
PubChem CID:	103619406
Reduced:	NOSBr2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	414.96055
ΔH_f, kcal/mol:	9.18
Dipole, Da:	1.88
IP(EA), eV:	-8.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(4-propan-2-yloxyanilino)methyl]phenol

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations