Geometry & MOs

Info

ID:	284511
PubChem CID:	104051604
Reduced:	BrO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	338.08814
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	5.04
IP(EA), eV:	-9.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations