Geometry & MOs

Info

ID:	375939
PubChem CID:	134221935
Reduced:	ClNO5H28C29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	3.91
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-methoxy-3-methyl-2-prop-2-enylphenol

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=C(C=C3)Cl)OC)C(=C1CC(=O)O)C4=C(C5=C(C=C4)OCCC5)C

DOS

IR

Vibrations