Geometry & MOs

Info

ID:	290847
PubChem CID:	111363172
Reduced:	FION4C20H24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	439.192108
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	8.34
IP(EA), eV:	-8.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chlorothiophen-2-yl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-3-(3-morpholin-4-ylpropyl)guanidine

Drug info:

PubChemData

Smile

CN=C(NCCC1=CC=CC=C1F)NCC(=O)N2CCC3=CC=CC=C32.I

DOS

IR

Vibrations