Geometry & MOs

Info

ID:	285344
PubChem CID:	104100370
Reduced:	N5C10H19 (1)
Stoich.:	A5B10C19 (1)
Weight, g/mol:	248.143725
ΔH_f, kcal/mol:	49.12
Dipole, Da:	4.64
IP(EA), eV:	-8.96(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1CC(CN1C)NCCN2C=CN=N2

DOS

IR

Vibrations