Geometry & MOs

Info

ID:	257034
PubChem CID:	103143172
Reduced:	N2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	20.35
Dipole, Da:	4.06
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)(C2=CC=CC3=C2C=NC=C3)N)C(C)C

DOS

IR

Vibrations