Geometry & MOs

Info

ID:	187871
PubChem CID:	77637568
Reduced:	IOSN2C21H23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	470.246684
ΔH_f, kcal/mol:	31.28
Dipole, Da:	2.06
IP(EA), eV:	-8.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(3-ethylphenyl)methylamino]-4-(3-hexoxyphenyl)butan-2-ol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SCC(C(CNCC3=CC(=CC=C3)I)O)N

DOS

IR

Vibrations