Geometry & MOs

Info

ID:	290939
PubChem CID:	111642819
Reduced:	ISO2N3C19H32 (1)
Stoich.:	ABC2D3E19F32 (1)
Weight, g/mol:	430.240248
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	9.43
IP(EA), eV:	-8.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCCCOCC1CCOCC1)NCCSC2=CC=CC=C2.I

DOS

IR

Vibrations