Geometry & MOs

Info

ID:	285239
PubChem CID:	104098761
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	234.128075
ΔH_f, kcal/mol:	129.99
Dipole, Da:	4.9
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-methylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=N2)CNCCN3C=CN=N3

DOS

IR

Vibrations