Geometry & MOs

Info

ID:	389849
PubChem CID:	134995571
Reduced:	ClNC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	322.12961
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	2.96
IP(EA), eV:	-9.39(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-bromoundec-3-en-4-yl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1C[C@@H](NC1)CCl

DOS

IR

Vibrations