Geometry & MOs

Info

ID:	292671
PubChem CID:	117356747
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	240.97384
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	3.75
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-hydroxy-2-methoxy-6-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)CCCN)Cl

DOS

IR

Vibrations