Geometry & MOs

Info

ID:	291538
PubChem CID:	113384814
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-75.49
Dipole, Da:	3.12
IP(EA), eV:	-8.46(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(oxan-4-ylmethylsulfanyl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCC(COC)O

DOS

IR

Vibrations