Geometry & MOs

Info

ID:	290845
PubChem CID:	111363130
Reduced:	IOF2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	363.279824
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	3.3
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCCC1=COC(=N1)C2=CC=C(C=C2)F)NCCC3=CC=CC=C3F.I

DOS

IR

Vibrations