Geometry & MOs

Info

ID:	269846
PubChem CID:	103619394
Reduced:	NOSBr2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	384.94999
ΔH_f, kcal/mol:	9.8
Dipole, Da:	1.88
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(3,5-dimethylanilino)methyl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations