Geometry & MOs

Info

ID:	406489
PubChem CID:	135077809
Reduced:	ClSN2O4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	289.18305
ΔH_f, kcal/mol:	93.01
Dipole, Da:	12.34
IP(EA), eV:	-9.73(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(3-phenylprop-2-ynyl)pent-3-en-2-amine

Drug info:

PubChemData

Smile

CN1C(=S(C(=N1)C2=CC=CC=C2)OCl(=O)(=O)=O)C3=CC=CC=C3

DOS

IR

Vibrations