Geometry & MOs

Info

ID:	274485
PubChem CID:	103809641
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	242.124212
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	3.26
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

Drug info:

PubChemData

Smile

CC(CC1=CSC=C1)NC(=O)[C@H]2CCCCN2

DOS

IR

Vibrations