Geometry & MOs

Info

ID:	290937
PubChem CID:	111642659
Reduced:	ISN4O4C21H37 (1)
Stoich.:	ABC4D4E21F37 (1)
Weight, g/mol:	408.273656
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	4.97
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[[2-(2-methoxyethoxy)pyridin-3-yl]methyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCCCOCC1CCOCC1)NCCS(=O)(=O)NCC2=CC=CC=C2.I

DOS

IR

Vibrations