Geometry & MOs

Info

ID:	342489
PubChem CID:	127265644
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	260.143725
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	3.93
IP(EA), eV:	-8.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CCN2CCC(CC2)N3CCCNC3=O

DOS

IR

Vibrations