Geometry & MOs

Info

ID:	272209
PubChem CID:	103735730
Reduced:	ON2Cl3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	223.077933
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	5.44
IP(EA), eV:	-9.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-cyanothiophen-2-yl)methylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=CC(=CC(=C1)Cl)Cl.Cl

DOS

IR

Vibrations