Geometry & MOs

Info

ID:	343844
PubChem CID:	127267020
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	274.159375
ΔH_f, kcal/mol:	26.28
Dipole, Da:	7.6
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CN1CCCCC(C1=O)CNCC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations