Geometry & MOs

Info

ID:	440179
PubChem CID:	135230089
Reduced:	NO2S2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	133.092521
ΔH_f, kcal/mol:	13.88
Dipole, Da:	3.1
IP(EA), eV:	-9.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-propan-2-ylsulfanylethanamine

Drug info:

PubChemData

Smile

CC(C)SSC1=CC=CC(C=C1)(C)[N+](=O)[O-]

DOS

IR

Vibrations