Geometry & MOs

Info

ID:	372097
PubChem CID:	131293179
Reduced:	ClN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	233.94471
ΔH_f, kcal/mol:	42.61
Dipole, Da:	0.43
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(chloromethyl)-6-methylphenol

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NC(=CC(=C2)Cl)N

DOS

IR

Vibrations