Geometry & MOs

Info

ID:	206205
PubChem CID:	80219123
Reduced:	ClN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	266.064447
ΔH_f, kcal/mol:	57.73
Dipole, Da:	1.55
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC#C)C1=NC=C(C=C1)Cl

DOS

IR

Vibrations