Geometry & MOs

Info

ID:	315645
PubChem CID:	126628313
Reduced:	O2C13H16 (4)
Stoich.:	A2B13C16 (4)
Weight, g/mol:	266.06701
ΔH_f, kcal/mol:	-341.69
Dipole, Da:	1.71
IP(EA), eV:	-8.53(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(cyclohexylmethyl)-1-methylbenzene

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C(C)C)C2=C(C=C(C(=C2)C)OCC(=O)OC34CC5CC(C3)CC(C5)(C4)OC(=O)COC6=CC(=C(C=C6C)C(CC)C7=CC=C(C=C7)C(C)C)O)O

DOS

IR

Vibrations