Geometry & MOs

Info

ID:	384963
PubChem CID:	134978041
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	2.36
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,8,9-tetramethyldeca-4,6-diyne

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC=C1)(C2=C(C=NC=C2)Br)O

DOS

IR

Vibrations