Geometry & MOs

Info

ID:	256655
PubChem CID:	103140467
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	1.44
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCC2CCC(O2)C

DOS

IR

Vibrations