Geometry & MOs

Info

ID:	246213
PubChem CID:	103049743
Reduced:	ClFNOC17H25 (1)
Stoich.:	ABCDE17F25 (1)
Weight, g/mol:	280.089102
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	2.41
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)CNCC1(CCOCC1)CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations