Geometry & MOs

Info

ID:	256654
PubChem CID:	103140462
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-83.25
Dipole, Da:	5.49
IP(EA), eV:	-9.35(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C2C=CN=CC2=C1NCCOCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations