Geometry & MOs

Info

ID:	150412
PubChem CID:	53790102
Reduced:	ClN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	144.126263
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783702
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-(methylamino)pentanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1CC(C#N)[N+]2(CCOCC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations