Geometry & MOs

Info

ID:	407631
PubChem CID:	135080380
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	200.02006
ΔH_f, kcal/mol:	32.4
Dipole, Da:	2.47
IP(EA), eV:	-8.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromonon-1-en-7-yne

Drug info:

PubChemData

Smile

CCC1=CC2=C(NC(=C2N)Cl)N=C1

DOS

IR

Vibrations