Geometry & MOs

Info

ID:	400075
PubChem CID:	135045047
Reduced:	BrOC25H27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	280.95911
ΔH_f, kcal/mol:	7.51
Dipole, Da:	3.36
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations