Geometry & MOs

Info

ID:	402307
PubChem CID:	135055409
Reduced:	NO2S2C10H17 (1)
Stoich.:	AB2C2D10E17 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-86.41
Dipole, Da:	7.59
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(2S)-2-phenylbutyl]aniline

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H](C)C(=O)N1CCSC1=S)O

DOS

IR

Vibrations