Geometry & MOs

Info

ID:	343868
PubChem CID:	127267044
Reduced:	FN6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	314.165523
ΔH_f, kcal/mol:	40.02
Dipole, Da:	4.77
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]-5-methyltriazol-4-amine

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)CNC2=CC(=C(C=C2)F)C3=NC=NN3)C

DOS

IR

Vibrations