Geometry & MOs

Info

ID:	410892
PubChem CID:	135083693
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	227.076871
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	1.89
IP(EA), eV:	-9.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-thiophen-2-ylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C=C(\C)/N=NC(=O)N

DOS

IR

Vibrations