Geometry & MOs

Info

ID:	281701
PubChem CID:	103914240
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	204.129634
ΔH_f, kcal/mol:	-35.09
Dipole, Da:	4.55
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(3-methylsulfanylpropylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C(C=NC=C1)Cl

DOS

IR

Vibrations