Geometry & MOs

Info

ID:	80922
PubChem CID:	49853904
Reduced:	O3C24H28 (1)
Stoich.:	A3B24C28 (1)
Weight, g/mol:	442.11436
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	5.31
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-bromoacetyl)phenoxy]-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C)C=O

DOS

IR

Vibrations