Geometry & MOs

Info

ID:	291092
PubChem CID:	111677881
Reduced:	FION6C20H30 (1)
Stoich.:	ABCD6E20F30 (1)
Weight, g/mol:	388.238688
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	10.18
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC1=NN=C2N1CCCCC2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations