Geometry & MOs

Info

ID:	285305
PubChem CID:	104098995
Reduced:	F2O2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	4.46
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-2-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCN2C=CN=N2)OC(F)F

DOS

IR

Vibrations