Geometry & MOs

Info

ID:	287222
PubChem CID:	104234083
Reduced:	FON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	264.138639
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	4.0
IP(EA), eV:	-9.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations