Geometry & MOs

Info

ID:	267337
PubChem CID:	103581881
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	0.92
Dipole, Da:	4.09
IP(EA), eV:	-8.08(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3,5-dimethylanilino)methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=C(N(N=C2C)C)OC

DOS

IR

Vibrations