Geometry & MOs

Info

ID:	276181
PubChem CID:	103821112
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	240.108562
ΔH_f, kcal/mol:	5.38
Dipole, Da:	4.44
IP(EA), eV:	-8.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-cyclopropyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

C1CSCC(N1)CC(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations