Geometry & MOs

Info

ID:	395644
PubChem CID:	135026079
Reduced:	ClON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	276.150073
ΔH_f, kcal/mol:	2.62
Dipole, Da:	5.53
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(N-diazonioanilino)hex-1-ynylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NCCC2=CNC3=CC=CC=C32)Cl

DOS

IR

Vibrations