Geometry & MOs

Info

ID:	291020
PubChem CID:	111677795
Reduced:	FION5C16H23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	319.180839
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	7.28
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-(1H-pyrazol-5-ylmethyl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=NN1)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations