Geometry & MOs

Info

ID:	169292
PubChem CID:	75085434
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	129.93
Dipole, Da:	7.45
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)triazolidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NNN2)C3=CC=CC=C3C#N

DOS

IR

Vibrations