Geometry & MOs

Info

ID:	343869
PubChem CID:	127267045
Reduced:	FN6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	300.149873
ΔH_f, kcal/mol:	66.66
Dipole, Da:	4.03
IP(EA), eV:	-8.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(N(N=N2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations