Geometry & MOs

Info

ID:	209642
PubChem CID:	80698330
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	184.112425
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	2.95
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N(C2=CC=CC=C2C(=O)N1)CCF

DOS

IR

Vibrations