Geometry & MOs

Info

ID:	209761
PubChem CID:	80716827
Reduced:	NF2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	2.63
IP(EA), eV:	-9.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]oxolan-3-amine

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)CC2=CC(=C(C=C2)F)F)CO

DOS

IR

Vibrations