Geometry & MOs

Info

ID:	54506
PubChem CID:	17388790
Reduced:	NCl2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	660.279747
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	2.2
IP(EA), eV:	-8.77(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-butoxyphenyl)methylsulfanyl]ethyl]guanidine;sulfuric acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CN2CCOCC2)Cl.Cl

DOS

IR

Vibrations