Geometry & MOs

Info

ID:	424218
PubChem CID:	135121762
Reduced:	BrNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	337.226646
ΔH_f, kcal/mol:	-45.37
Dipole, Da:	2.28
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzotriazol-1-yl)nonyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=[N+]2CC(O1)(C3=CC=CC=C3)O.[Br-]

DOS

IR

Vibrations