Geometry & MOs

Info

ID:	290940
PubChem CID:	111642828
Reduced:	SO2N4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	313.272927
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=NC)NCCCOCC3CCOCC3

DOS

IR

Vibrations