Geometry & MOs

Info

ID:	385875
PubChem CID:	134980200
Reduced:	BrOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	264.187801
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	4.42
IP(EA), eV:	-9.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzyl-2-propan-2-ylcyclopropyl)-4-methylbenzene

Drug info:

PubChemData

Smile

CCCCC[C@@H]1CCC(=O)[C@H]1C2=CC=C(C=C2)Br

DOS

IR

Vibrations