Geometry & MOs

Info

ID:	242576
PubChem CID:	97857415
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	4.34
IP(EA), eV:	-8.27(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[(S)-methylsulfinyl]aniline

Drug info:

PubChemData

Smile

C[C@H](C1=COC=C1)NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)OC

DOS

IR

Vibrations