Geometry & MOs

Info

ID:	284519
PubChem CID:	104051615
Reduced:	BrO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	5.04
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2CCCC2)C)Br

DOS

IR

Vibrations