Geometry & MOs

Info

ID:	292752
PubChem CID:	117358123
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	14.6
Dipole, Da:	2.03
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(4-methyltriazol-2-yl)phenyl]cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=CC3=C(C=C2)OC(=N3)C4CC4

DOS

IR

Vibrations