Geometry & MOs

Info

ID:	13423
PubChem CID:	231516
Reduced:	BrOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	302.03063
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	5.75
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10-bromo-5,6,7,8-tetrahydrophenanthren-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C3CCCCC3=C2C=C1)Br

DOS

IR

Vibrations