Geometry & MOs

Info

ID:	290944
PubChem CID:	111644271
Reduced:	ClIO3N4C21H34 (1)
Stoich.:	ABC3D4E21F34 (1)
Weight, g/mol:	376.283826
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	4.71
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[benzyl(methyl)amino]ethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCCCOCC1CCOCC1)NCCNC(=O)C2=CC=CC=C2Cl.I

DOS

IR

Vibrations