Geometry & MOs

Info

ID:	277320
PubChem CID:	103827817
Reduced:	S2N3O3C11H19 (1)
Stoich.:	A2B3C3D11E19 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	6.16
IP(EA), eV:	-9.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-methyl-N-(pyridin-4-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations