Geometry & MOs

Info

ID:	48889
PubChem CID:	11528441
Reduced:	NC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	176.9403
ΔH_f, kcal/mol:	-10.85
Dipole, Da:	1.8
IP(EA), eV:	-8.34(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(76Br)bromanyl-5-chloropent-1-yne

Drug info:

PubChemData

Smile

CC(C)CC(C)C1=CC=CC=C1N

DOS

IR

Vibrations