Geometry & MOs

Info

ID:	225101
PubChem CID:	85741751
Reduced:	BrO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	6.81
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyphenyl)-4,4-dimethylpent-1-en-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=O)C1=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations