Geometry & MOs

Info

ID:	288853
PubChem CID:	104326982
Reduced:	FON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	-89.72
Dipole, Da:	3.05
IP(EA), eV:	-7.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-ethoxy-3-fluorophenyl)pyrazol-3-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1CNC(CN1C2=CC(=C(C=C2)OCC)F)C(C)C

DOS

IR

Vibrations